Geometry & MOs

Info

ID:	86544
PubChem CID:	49886911
Reduced:	ClNSO4H26C29 (1)
Stoich.:	ABCD4E26F29 (1)
Weight, g/mol:	458.130028
ΔH_f, kcal/mol:	-72.68
Dipole, Da:	4.95
IP(EA), eV:	-8.72(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations