Geometry & MOs

Info

ID:	296786
PubChem CID:	117592667
Reduced:	SCl2F3N3O5C37H42 (1)
Stoich.:	AB2C3D3E5F37G42 (1)
Weight, g/mol:	759.296301
ΔH_f, kcal/mol:	-342.94
Dipole, Da:	5.95
IP(EA), eV:	-8.33(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] 3-methylbutanoate;3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC.C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC.C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):