Geometry & MOs

Info

ID:	352711
PubChem CID:	127283800
Reduced:	SN3O3C11H19 (1)
Stoich.:	AB3C3D11E19 (1)
Weight, g/mol:	283.044919
ΔH_f, kcal/mol:	-106.93
Dipole, Da:	5.36
IP(EA), eV:	-8.67(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-2-(1-oxo-1,4-thiazinan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CC1)N2CCS(=O)CC2

DOS

IR

Vibrations