Geometry & MOs

Info

ID:	369094
PubChem CID:	127331253
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-10.36
Dipole, Da:	0.91
IP(EA), eV:	-8.64(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations