Geometry & MOs

Info

ID:	87453
PubChem CID:	49894687
Reduced:	NSO5H21C26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	506.106706
ΔH_f, kcal/mol:	-110.94
Dipole, Da:	5.57
IP(EA), eV:	-9.05(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC(=O)C4=CC=CC=C4)/SC2=O

DOS

IR

Vibrations