Geometry & MOs

Info

ID:	353284
PubChem CID:	127284464
Reduced:	N2S2O4C15H26 (1)
Stoich.:	A2B2C4D15E26 (1)
Weight, g/mol:	385.058855
ΔH_f, kcal/mol:	-194.47
Dipole, Da:	7.1
IP(EA), eV:	-9.07(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CSCC(=O)N2CCS(=O)(=O)CC2

DOS

IR

Vibrations