Geometry & MOs

Info

ID:	395197
PubChem CID:	135024892
Reduced:	SO4C24H30 (1)
Stoich.:	AB4C24D30 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-132.0
Dipole, Da:	8.42
IP(EA), eV:	-8.69(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(methylamino)-3-[4-[(E)-2-(2-methyloxiran-2-yl)ethenyl]-1H-indol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC=CC1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)OC(C)C)C=CC)OC(C)C

DOS

IR

Vibrations