Geometry & MOs

Info

ID:	174094
PubChem CID:	75723587
Reduced:	ClN3O4C29H38 (1)
Stoich.:	AB3C4D29E38 (1)
Weight, g/mol:	515.255084
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	2.63
IP(EA), eV:	-9.64(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-3-nitro-N-[1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)heptan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)C(C1CCCCC1)N(C2=CC=CC=C2Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations