Geometry & MOs

Info

ID:	253245
PubChem CID:	103117041
Reduced:	SN3O5C11H15 (1)
Stoich.:	AB3C5D11E15 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-175.27
Dipole, Da:	12.77
IP(EA), eV:	-10.32(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCS(=O)(=O)CC2CC(=O)O

DOS

IR

Vibrations