Geometry & MOs

Info

ID:	322837
PubChem CID:	126671319
Reduced:	SF3O8C20H35 (1)
Stoich.:	AB3C8D20E35 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	-546.96
Dipole, Da:	8.03
IP(EA), eV:	-9.92(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]indazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCOCC1C(OC(O1)(C)C)COCC2CC(OC2COS(=O)(=O)C(F)(F)F)(C)C

DOS

IR

Vibrations