Geometry & MOs

Info

ID:	178682
PubChem CID:	76368763
Reduced:	NSO5C20H29 (1)
Stoich.:	ABC5D20E29 (1)
Weight, g/mol:	423.155847
ΔH_f, kcal/mol:	-176.58
Dipole, Da:	5.69
IP(EA), eV:	-9.39(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C#CCC(=O)OC)C(C(C)(C)COCC1=CC=CC=C1)NS(=O)(=O)C

DOS

IR

Vibrations