Geometry & MOs

Info

ID:	193178
PubChem CID:	78353280
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	339.071134
ΔH_f, kcal/mol:	-5.72
Dipole, Da:	5.04
IP(EA), eV:	-8.52(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-3-(4-oxo-2-sulfanylidene-4aH-thieno[3,2-d]pyrimidin-3-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C=NNC(=O)C2CC(NN2)C3=CC=CC=C3

DOS

IR

Vibrations