Geometry & MOs

Info

ID:	223544
PubChem CID:	85335210
Reduced:	ClSN3O3C20H24 (1)
Stoich.:	ABC3D3E20F24 (1)
Weight, g/mol:	420.190989
ΔH_f, kcal/mol:	-96.53
Dipole, Da:	5.13
IP(EA), eV:	-9.64(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxyphenyl)methylimino]-4,9-diethyl-7-methylimidazo[5,1-h]pteridin-6-one

Drug info:

PubChemData

Smile

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)CNC(=O)CC3=CC=NC=C3

DOS

IR

Vibrations