Geometry & MOs

Info

ID:	235487
PubChem CID:	92709800
Reduced:	OSN3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	22.62
Dipole, Da:	4.33
IP(EA), eV:	-8.8(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(3-methylphenyl)-N-(5-methylpyridin-2-yl)-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@H](CC(=O)NC2=NC(=CS2)C)N3C=CC=C3

DOS

IR

Vibrations