Geometry & MOs

Info

ID:	18810
PubChem CID:	548587
Reduced:	SCl2O3N5H13C20 (1)
Stoich.:	AB2C3D5E13F20 (1)
Weight, g/mol:	473.011616
ΔH_f, kcal/mol:	2.83
Dipole, Da:	7.69
IP(EA), eV:	-9.56(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6,8-bis(4-chlorophenyl)-7,7-dioxo-8,9-dihydro-6H-thieno[3,4-g]pteridin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C3=C(C(S2(=O)=O)C4=CC=C(C=C4)Cl)N=C5C(=NC(=NC5=O)N)N3)Cl

DOS

IR

Vibrations