Geometry & MOs

Info

ID:	134985
PubChem CID:	51793812
Reduced:	ClN2O3C31H37 (1)
Stoich.:	AB2C3D31E37 (1)
Weight, g/mol:	456.254356
ΔH_f, kcal/mol:	-103.11
Dipole, Da:	4.42
IP(EA), eV:	-8.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-(2-chloro-N-propanoylanilino)-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)OC)N(C2=CC=CC=C2Cl)C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations