Geometry & MOs

Info

ID:	152696
PubChem CID:	56311729
Reduced:	SO2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	458.177647
ΔH_f, kcal/mol:	29.85
Dipole, Da:	8.37
IP(EA), eV:	-8.45(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[4-(1H-indol-2-yl)piperidin-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC#N)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations