Geometry & MOs

Info

ID:	192887
PubChem CID:	78322373
Reduced:	SN2O4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	382.017891
ΔH_f, kcal/mol:	-53.8
Dipole, Da:	2.1
IP(EA), eV:	-8.12(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=NC3=C(C2=O)SC=C3C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations