Geometry & MOs

Info

ID:	133386
PubChem CID:	51519167
Reduced:	N2O3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	350.150467
ΔH_f, kcal/mol:	-32.74
Dipole, Da:	13.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.887507
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)methylcarbamoylamino]propanoate

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CN=CC=C4)/C3=O)O

DOS

IR

Vibrations