Geometry & MOs

Info

ID:	87908
PubChem CID:	49898557
Reduced:	NSO4H21C27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	586.05619
ΔH_f, kcal/mol:	-64.48
Dipole, Da:	3.72
IP(EA), eV:	-8.78(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=CC(=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54)OC

DOS

IR

Vibrations