Geometry & MOs

Info

ID:	49869
PubChem CID:	11534055
Reduced:	SF3O3N6C25H27 (1)
Stoich.:	AB3C3D6E25F27 (1)
Weight, g/mol:	548.220575
ΔH_f, kcal/mol:	-191.79
Dipole, Da:	6.05
IP(EA), eV:	-8.71(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3E)-1-heptyl-3-(1H-imidazol-2-ylcarbamoylhydrazinylidene)-2-oxoindol-5-yl]sulfanylethyl]benzoic acid

Drug info:

PubChemData

Smile

CCN(C1=C(C=CC(=C1)C)CN(C2=NC(=NC=C2F)NC3=CC4=C(CC(=O)N4)C=C3)C(F)F)S(=O)(=O)CC

DOS

IR

Vibrations