Geometry & MOs

Info

ID:	270447
PubChem CID:	103636632
Reduced:	FN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	387.9284
ΔH_f, kcal/mol:	-93.9
Dipole, Da:	3.73
IP(EA), eV:	-10.13(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCCNC(=O)C2=C(C=CC(=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations