Geometry & MOs

Info

ID:	366261
PubChem CID:	127319718
Reduced:	SN2O6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	383.097349
ΔH_f, kcal/mol:	-229.67
Dipole, Da:	3.13
IP(EA), eV:	-8.92(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(1,1-dioxothian-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4CCCS(=O)(=O)C4

DOS

IR

Vibrations