Geometry & MOs

Info

ID:	253184
PubChem CID:	103116619
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	-64.38
Dipole, Da:	8.97
IP(EA), eV:	-9.57(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1-methylindazole-3-carbonyl)amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations