Geometry & MOs

Info

ID:	352439
PubChem CID:	127283527
Reduced:	NOSC5H7 (2)
Stoich.:	ABCD5E7 (2)
Weight, g/mol:	399.074505
ΔH_f, kcal/mol:	-52.89
Dipole, Da:	4.4
IP(EA), eV:	-8.58(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCS(=O)CC2

DOS

IR

Vibrations