Geometry & MOs

Info

ID:	134682
PubChem CID:	51738328
Reduced:	N3O5C28H35 (1)
Stoich.:	A3B5C28D35 (1)
Weight, g/mol:	527.255084
ΔH_f, kcal/mol:	-120.32
Dipole, Da:	5.24
IP(EA), eV:	-8.94(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-chlorophenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-cyclohexyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](C(=O)NC2CCCCC2)N(C3CCCCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations