Geometry & MOs

Info

ID:	42552
PubChem CID:	8149695
Reduced:	ClOSN3C20H22 (1)
Stoich.:	ABCD3E20F22 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-16.09
Dipole, Da:	1.97
IP(EA), eV:	-8.77(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-cyanophenyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations