Geometry & MOs

Info

ID:	56032
PubChem CID:	17403859
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	359.8971
ΔH_f, kcal/mol:	-161.52
Dipole, Da:	7.24
IP(EA), eV:	-9.29(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-chlorophenyl)-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(C)CCC3=CC=CO3

DOS

IR

Vibrations