Geometry & MOs

Info

ID:	328002
PubChem CID:	126691682
Reduced:	N3O3F6H25C28 (1)
Stoich.:	A3B3C6D25E28 (1)
Weight, g/mol:	593.270128
ΔH_f, kcal/mol:	-356.7
Dipole, Da:	7.18
IP(EA), eV:	-8.99(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-(3,5-difluorophenyl)-2-hydroxy-4-methyl-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]cyclohexane-1-carboxylic acid

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

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=CC=CC=C4OC)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

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

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=CC=CC=C4OC)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):