Geometry & MOs

Info

ID:	343325
PubChem CID:	127266498
Reduced:	NSO3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	307.095691
ΔH_f, kcal/mol:	-64.93
Dipole, Da:	1.27
IP(EA), eV:	-9.08(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C=CC2=CSC=C2

DOS

IR

Vibrations