Geometry & MOs

Info

ID:	134970
PubChem CID:	51790604
Reduced:	ClN2O2C24H31 (1)
Stoich.:	AB2C2D24E31 (1)
Weight, g/mol:	476.199734
ΔH_f, kcal/mol:	-100.85
Dipole, Da:	2.24
IP(EA), eV:	-9.03(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N(C1=CC=CC=C1Cl)[C@@H](C2=C(C=C(C=C2)C)C)C(=O)NC(C)(C)C

DOS

IR

Vibrations