Geometry & MOs

Info

ID:	20241
PubChem CID:	582791
Reduced:	SN2O4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	282.067428
ΔH_f, kcal/mol:	-129.73
Dipole, Da:	6.64
IP(EA), eV:	-8.49(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-2-(methanesulfonamido)propanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations