Geometry & MOs

Info

ID:	353947
PubChem CID:	127285587
Reduced:	O2S2N3C9H13 (1)
Stoich.:	A2B2C3D9E13 (1)
Weight, g/mol:	308.130697
ΔH_f, kcal/mol:	-46.66
Dipole, Da:	2.29
IP(EA), eV:	-8.84(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-N-(2-pyrrolidin-1-ylpyridin-3-yl)-1,4-thiazinane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)N2CCS(=O)CC2

DOS

IR

Vibrations