Geometry & MOs

Info

ID:	425486
PubChem CID:	135126512
Reduced:	OSF2N4H18C20 (1)
Stoich.:	ABC2D4E18F20 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-14.68
Dipole, Da:	0.55
IP(EA), eV:	-9.03(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2Z)-2-(2-amino-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-N-cyclopentylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1[C@@H]2CSC(N[C@@]2(CO1)C3=C(C=CC(=C3)/C=C(/C4=NC=C(C=C4)C#N)\F)F)N

DOS

IR

Vibrations