Geometry & MOs

Info

ID:	161691
PubChem CID:	57392339
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	-30.45
Dipole, Da:	3.85
IP(EA), eV:	-8.82(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-nitro-N-(3-phenylpropyl)benzamide

Drug info:

PubChemData

Smile

CN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations