Geometry & MOs

Info

ID:	235467
PubChem CID:	92709732
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	324.129634
ΔH_f, kcal/mol:	-51.29
Dipole, Da:	3.33
IP(EA), eV:	-8.45(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H](CC(=O)NC2=CC3=C(C=C2)OCCO3)N4C=CC=C4

DOS

IR

Vibrations