Geometry & MOs

Info

ID:	62342
PubChem CID:	26719381
Reduced:	O3N4C16H16 (1)
Stoich.:	A3B4C16D16 (1)
Weight, g/mol:	375.088892
ΔH_f, kcal/mol:	7.21
Dipole, Da:	8.26
IP(EA), eV:	-9.34(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-nitroanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=CC=N2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations