Geometry & MOs

Info

ID:	49728
PubChem CID:	11533670
Reduced:	BrSN2O5H21C23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	517.124941
ΔH_f, kcal/mol:	-123.75
Dipole, Da:	3.41
IP(EA), eV:	-9.72(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-hydroxy-3-[(2E)-2-[2-oxo-1-[3-(trifluoromethyl)phenyl]indol-3-ylidene]hydrazinyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CN([C@H](C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations