Geometry & MOs

Info

ID:	67672
PubChem CID:	46506934
Reduced:	ClFNSO3H13C21 (1)
Stoich.:	ABCDE3F13G21 (1)
Weight, g/mol:	353.038961
ΔH_f, kcal/mol:	-74.6
Dipole, Da:	5.5
IP(EA), eV:	-9.54(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CN(C3=C(S2(=O)=O)C=CC(=C3)F)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations