Geometry & MOs

Info

ID:	79209
PubChem CID:	49747421
Reduced:	N3O3S3C19H21 (1)
Stoich.:	A3B3C3D19E21 (1)
Weight, g/mol:	443.133734
ΔH_f, kcal/mol:	-49.57
Dipole, Da:	7.73
IP(EA), eV:	-9.26(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrrol-1-yl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCNC(=O)C2=CC3=C(C=C2)N=CS3)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations