Geometry & MOs

Info

ID:	87417
PubChem CID:	49894525
Reduced:	NSO4H17C19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	382.098728
ΔH_f, kcal/mol:	-104.84
Dipole, Da:	1.96
IP(EA), eV:	-8.82(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C(=CC=C3)OC)O)/SC2=O

DOS

IR

Vibrations