Geometry & MOs

Info

ID:	67706
PubChem CID:	46507010
Reduced:	ClS2O3N4C24H27 (1)
Stoich.:	AB2C3D4E24F27 (1)
Weight, g/mol:	363.104148
ΔH_f, kcal/mol:	-64.37
Dipole, Da:	3.61
IP(EA), eV:	-9.03(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)N=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CS4

DOS

IR

Vibrations