Geometry & MOs

Info

ID:	213400
PubChem CID:	81063609
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-90.64
Dipole, Da:	4.02
IP(EA), eV:	-9.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(2-methylindol-1-yl)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C=CS1)C2=CC=CC=C2

DOS

IR

Vibrations