Geometry & MOs

Info

ID:	67687
PubChem CID:	46506969
Reduced:	FSN2O2C20H21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	-83.78
Dipole, Da:	6.3
IP(EA), eV:	-8.41(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-7-phenyl-2-sulfanylidene-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1OC3(CC2NC(=S)N3C4=CC(=C(C=C4)F)C)C

DOS

IR

Vibrations