Geometry & MOs

Info

ID:	128617
PubChem CID:	51052302
Reduced:	SN2O3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-116.33
Dipole, Da:	6.89
IP(EA), eV:	-9.8(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1-methylindole-2-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N[C@@H](C)C(=O)O

DOS

IR

Vibrations