Geometry & MOs

Info

ID:	87454
PubChem CID:	49894719
Reduced:	ClSN2O4H23C27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	458.130028
ΔH_f, kcal/mol:	-98.53
Dipole, Da:	2.01
IP(EA), eV:	-9.03(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)NC4=CC(=C(C=C4)C)Cl)/SC2=O

DOS

IR

Vibrations