Geometry & MOs

Info

ID:	235429
PubChem CID:	92708845
Reduced:	SN2O2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	338.108899
ΔH_f, kcal/mol:	-6.72
Dipole, Da:	1.13
IP(EA), eV:	-9.04(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(4-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)C[C@@H](C2=CC=CS2)N3C=CC=C3

DOS

IR

Vibrations