Geometry & MOs

Info

ID:	171812
PubChem CID:	75428861
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	427.120192
ΔH_f, kcal/mol:	-180.64
Dipole, Da:	4.69
IP(EA), eV:	-10.02(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-2-[[(E)-3-[4-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=C(C=C1)C(=O)NC(C)(C)C(=O)O

DOS

IR

Vibrations