Geometry & MOs

Info

ID:	67830
PubChem CID:	46507257
Reduced:	SO2N3C26H27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	447.198048
ΔH_f, kcal/mol:	11.09
Dipole, Da:	1.76
IP(EA), eV:	-8.34(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethoxypropyl)-5-methyl-2-[(4-methylphenyl)methylsulfanyl]-7-phenylpyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C=C)CCCOC)C4=CC=CC=C4

DOS

IR

Vibrations