Geometry & MOs

Info

ID:	87476
PubChem CID:	49894856
Reduced:	NSCl2O2H13C18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	366.103814
ΔH_f, kcal/mol:	-41.8
Dipole, Da:	3.32
IP(EA), eV:	-9.3(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=C(C=CC=C3Cl)Cl)/SC2=O

DOS

IR

Vibrations