Geometry & MOs

Info

ID:	12298
PubChem CID:	134305
Reduced:	O2S2N3C18H21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	375.107519
ΔH_f, kcal/mol:	-47.15
Dipole, Da:	2.07
IP(EA), eV:	-8.79(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-3-phenyl-N-[2-(pyridin-2-yldisulfanyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCSSC2=CC=CC=N2

DOS

IR

Vibrations