Geometry & MOs

Info

ID:	208511
PubChem CID:	80539281
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-122.54
Dipole, Da:	4.42
IP(EA), eV:	-9.35(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indazole-6-carbonylamino)-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CSC=C1C(=O)NCCC(C)C(=O)O

DOS

IR

Vibrations