Geometry & MOs

Info

ID:	397148
PubChem CID:	135029803
Reduced:	BrNSO3H12C15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	317.072179
ΔH_f, kcal/mol:	-44.55
Dipole, Da:	7.22
IP(EA), eV:	-9.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-oxoacetamide

Drug info:

PubChemData

Smile

CS(=NC(=O)C(=O)C1=CC=C(C=C1)Br)(=O)C2=CC=CC=C2

DOS

IR

Vibrations