Geometry & MOs

Info

ID:	134633
PubChem CID:	51731536
Reduced:	ClN2O3C25H31 (1)
Stoich.:	AB2C3D25E31 (1)
Weight, g/mol:	518.270006
ΔH_f, kcal/mol:	-133.67
Dipole, Da:	3.35
IP(EA), eV:	-9.06(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-chloro-N-[2-(2-methylphenyl)acetyl]anilino)-2-(2-methylphenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@H](C1=CC(=CC=C1)O)N(C2=CC(=CC=C2)Cl)C(=O)C3CCCCC3

DOS

IR

Vibrations