Geometry & MOs

Info

ID:	186070
PubChem CID:	77386192
Reduced:	N2O2C31H34 (1)
Stoich.:	A2B2C31D34 (1)
Weight, g/mol:	313.055484
ΔH_f, kcal/mol:	3.07
Dipole, Da:	2.52
IP(EA), eV:	-8.47(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dimethyl-4-oxo-6H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide

Drug info:

PubChemData

Smile

C1CN=C(OC1)C(C2CCN(C2)CCC3=CC4=C(C=C3)OCC4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations