Geometry & MOs

Info

ID:	20190
PubChem CID:	582637
Reduced:	SN2O4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	358.098728
ΔH_f, kcal/mol:	-110.63
Dipole, Da:	11.89
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations