Geometry & MOs

Info

ID:	44988
PubChem CID:	10507024
Reduced:	SN3O3C33H39 (1)
Stoich.:	AB3C3D33E39 (1)
Weight, g/mol:	558.135525
ΔH_f, kcal/mol:	26.11
Dipole, Da:	5.16
IP(EA), eV:	-8.86(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[4-(diaminomethylideneamino)sulfonylphenyl]-2-[(4-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide

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)(C)S/C(=C/[C@H]([C@@H]([C@H](COCC1=CC=CC=C1)N=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)/C=C

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)(C)S/C(=C/[C@H]([C@@H]([C@H](COCC1=CC=CC=C1)N=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)/C=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):