Geometry & MOs

Info

ID:	135296
PubChem CID:	51848025
Reduced:	N2O3C14H19 (2)
Stoich.:	A2B3C14D19 (2)
Weight, g/mol:	470.216535
ΔH_f, kcal/mol:	-102.32
Dipole, Da:	2.67
IP(EA), eV:	-9.79(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(butylamino)-3-ethyl-1-oxopentan-2-yl]-3,5-dinitro-N-phenylbenzamide

Drug info:

PubChemData

Smile

CCC(CC)[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(C1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations