Geometry & MOs

Info

ID:	67681
PubChem CID:	46506955
Reduced:	ClSO3N4C17H17 (1)
Stoich.:	ABC3D4E17F17 (1)
Weight, g/mol:	554.198777
ΔH_f, kcal/mol:	-68.18
Dipole, Da:	7.19
IP(EA), eV:	-8.81(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethoxyphenyl)-2-[3-(4-ethylphenyl)-5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1CN(CCC12NC3=CC=CC=C3C(=O)N2)S(=O)(=O)C4=C(N=CC=C4)Cl

DOS

IR

Vibrations