Geometry & MOs

Info

ID:	291412
PubChem CID:	112378980
Reduced:	NSO2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-64.96
Dipole, Da:	1.71
IP(EA), eV:	-8.85(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-(3-hydroxy-4-phenylbutan-2-yl)-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(CC1=CC=CC=C1)O)NC(=O)C(C)SC2=CC=CC=C2

DOS

IR

Vibrations