Geometry & MOs

Info

ID:	125946
PubChem CID:	50944947
Reduced:	ClSN3O4C17H24 (1)
Stoich.:	ABC3D4E17F24 (1)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	-180.61
Dipole, Da:	5.1
IP(EA), eV:	-9.16(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(3-methylphenyl)-1-(6-morpholin-4-ylpyridazin-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(C(C)C(=O)N2CCC(CC2)C(=O)N)S(=O)(=O)C)Cl

DOS

IR

Vibrations