Geometry & MOs

Info

ID:	87593
PubChem CID:	49895670
Reduced:	ClNSO3H20C25 (1)
Stoich.:	ABCD3E20F25 (1)
Weight, g/mol:	516.171893
ΔH_f, kcal/mol:	-48.52
Dipole, Da:	5.46
IP(EA), eV:	-9.1(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=CC=C3OCC4=CC=C(C=C4)Cl)/SC2=O

DOS

IR

Vibrations