Geometry & MOs

Info

ID:	161059
PubChem CID:	57390645
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	505.249605
ΔH_f, kcal/mol:	55.49
Dipole, Da:	6.42
IP(EA), eV:	-8.32(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-(4-phenylphenyl)butanamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=C/C=C(\C#N)/C(=O)NC2CC2

DOS

IR

Vibrations