Geometry & MOs

Info

ID:	134634
PubChem CID:	51732251
Reduced:	ClN2O2C32H39 (1)
Stoich.:	AB2C2D32E39 (1)
Weight, g/mol:	468.254356
ΔH_f, kcal/mol:	-82.36
Dipole, Da:	3.77
IP(EA), eV:	-9.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-chloro-N-[2-(2-methylphenyl)acetyl]anilino)-N-cyclohexylheptanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N(C2=CC(=CC=C2)Cl)[C@@H](C3=CC=CC=C3C)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations