Geometry & MOs

Info

ID:	87500
PubChem CID:	49895063
Reduced:	ClNSO4H22C23 (1)
Stoich.:	ABCD4E22F23 (1)
Weight, g/mol:	556.062648
ΔH_f, kcal/mol:	-97.17
Dipole, Da:	2.97
IP(EA), eV:	-9.19(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-6-methoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3C)Cl)OCC=C

DOS

IR

Vibrations