Geometry & MOs

Info

ID:	351118
PubChem CID:	127279676
Reduced:	SN2O3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	393.081698
ΔH_f, kcal/mol:	-80.58
Dipole, Da:	6.3
IP(EA), eV:	-9.07(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC4=C(S3)CCOC4

DOS

IR

Vibrations