Geometry & MOs

Info

ID:	67434
PubChem CID:	46506472
Reduced:	S2O4N5C22H23 (1)
Stoich.:	A2B4C5D22E23 (1)
Weight, g/mol:	375.984004
ΔH_f, kcal/mol:	-21.91
Dipole, Da:	9.3
IP(EA), eV:	-8.84(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-3-[(2-chlorophenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC3=C(C(=O)S2)SC=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations