Geometry & MOs

Info

ID:	369648
PubChem CID:	127334978
Reduced:	N2S2O3C16H22 (1)
Stoich.:	A2B2C3D16E22 (1)
Weight, g/mol:	392.086449
ΔH_f, kcal/mol:	-108.35
Dipole, Da:	3.0
IP(EA), eV:	-8.65(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

C1CSCCC1C(=O)N(CC2=CN=CC=C2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations