Geometry & MOs

Info

ID:	235436
PubChem CID:	92708889
Reduced:	SN2O2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	324.129634
ΔH_f, kcal/mol:	4.41
Dipole, Da:	4.31
IP(EA), eV:	-8.62(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)[C@@H](CC(=O)NCC2=CC=CO2)C3=CC=CS3

DOS

IR

Vibrations