Geometry & MOs

Info

ID:	145009
PubChem CID:	53448002
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	419.140055
ΔH_f, kcal/mol:	36.57
Dipole, Da:	3.95
IP(EA), eV:	-8.8(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-phenyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2C3C(C(=C(OC3NN2)N)C#N)C4=CC=CS4

DOS

IR

Vibrations