Geometry & MOs

Info

ID:	304339
PubChem CID:	124542245
Reduced:	ClSN3O3H26C30 (1)
Stoich.:	ABC3D3E26F30 (1)
Weight, g/mol:	427.13322
ΔH_f, kcal/mol:	-11.09
Dipole, Da:	5.5
IP(EA), eV:	-8.78(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-3-(2,2-diphenylacetyl)-5-(3-fluorophenyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=C(C=C5)C)Cl

DOS

IR

Vibrations