Geometry & MOs

Info

ID:	135295
PubChem CID:	51847984
Reduced:	N4O7C26H26 (1)
Stoich.:	A4B7C26D26 (1)
Weight, g/mol:	526.279135
ΔH_f, kcal/mol:	-65.45
Dipole, Da:	10.8
IP(EA), eV:	-9.39(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-ethyl-1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)pentan-2-yl]-3,5-dinitro-N-phenylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC(=CC=C1)OC)N(C2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations