Geometry & MOs

Info

ID:	352736
PubChem CID:	127283825
Reduced:	SN3O3C10H17 (1)
Stoich.:	AB3C3D10E17 (1)
Weight, g/mol:	351.107519
ΔH_f, kcal/mol:	-102.21
Dipole, Da:	5.58
IP(EA), eV:	-8.74(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-oxo-1,4-thiazinan-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC(=O)CN2CCS(=O)CC2

DOS

IR

Vibrations