Geometry & MOs

Info

ID:	173374
PubChem CID:	75630496
Reduced:	NSO2C8H15 (1)
Stoich.:	ABC2D8E15 (1)
Weight, g/mol:	496.238688
ΔH_f, kcal/mol:	-93.25
Dipole, Da:	4.92
IP(EA), eV:	-9.11(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-fluoro-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenyl-4-(4-piperazin-1-ylphenyl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-b]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C=C)SCC(C(=O)O)N

DOS

IR

Vibrations