Geometry & MOs

Info

ID:	134214
PubChem CID:	51663363
Reduced:	O4H13C19 (1)
Stoich.:	A4B13C19 (1)
Weight, g/mol:	501.139213
ΔH_f, kcal/mol:	-34.66
Dipole, Da:	4.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765426
Charge, e:	0

Chem-info

IUPAC name:

2-[(5S)-2-(benzenesulfonylimino)-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C\C(=O)C2=C(C3=CC=CC=C3C2=O)[O-]

DOS

IR

Vibrations