Geometry & MOs

Info

ID:	369077
PubChem CID:	127331219
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-73.89
Dipole, Da:	2.89
IP(EA), eV:	-8.6(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-2-methyl-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations