Geometry & MOs

Info

ID:	171123
PubChem CID:	75330328
Reduced:	SN2O4H14C21 (1)
Stoich.:	AB2C4D14E21 (1)
Weight, g/mol:	615.949
ΔH_f, kcal/mol:	1.78
Dipole, Da:	2.84
IP(EA), eV:	-8.94(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C=C3C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations