Geometry & MOs

Info

ID:	136156
PubChem CID:	51987734
Reduced:	ClN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	444.204907
ΔH_f, kcal/mol:	-103.87
Dipole, Da:	5.14
IP(EA), eV:	-8.77(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(1H-indol-3-yl)-2-[[3-methoxy-4-(2-phenylethoxy)phenyl]methylamino]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CN[C@H](CC2=CNC3=CC=CC=C32)C(=O)O)Cl)OC

DOS

IR

Vibrations