Geometry & MOs

Info

ID:	134683
PubChem CID:	51738338
Reduced:	ClN3O4C29H38 (1)
Stoich.:	AB3C4D29E38 (1)
Weight, g/mol:	450.184084
ΔH_f, kcal/mol:	-105.72
Dipole, Da:	4.48
IP(EA), eV:	-9.42(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-[(1S)-2-(cyclohexylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)Cl)N(C2CCCCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations