Geometry & MOs

Info

ID:	135595
PubChem CID:	51898029
Reduced:	NOC9H9 (1)
Stoich.:	ABC9D9 (1)
Weight, g/mol:	484.095663
ΔH_f, kcal/mol:	36.21
Dipole, Da:	1.4
IP(EA), eV:	-9.96(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-2-methylanilino)-2-oxoethyl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C#CC[C@@H](C1=CC=CC=N1)O

DOS

IR

Vibrations