Geometry & MOs

Info

ID:	67774
PubChem CID:	46507141
Reduced:	FON3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	333.093583
ΔH_f, kcal/mol:	-8.47
Dipole, Da:	2.51
IP(EA), eV:	-8.61(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F

DOS

IR

Vibrations