Geometry & MOs

Info

ID:	235486
PubChem CID:	92709796
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	-53.03
Dipole, Da:	2.08
IP(EA), eV:	-8.01(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](CC(=O)NC2=CC(=C(C=C2)OC)OC)N3C=CC=C3

DOS

IR

Vibrations