Geometry & MOs

Info

ID:	253191
PubChem CID:	103116688
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-70.44
Dipole, Da:	9.57
IP(EA), eV:	-8.79(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-methyl-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3(CCSC3)C(=O)O

DOS

IR

Vibrations