Geometry & MOs

Info

ID:	133387
PubChem CID:	51519435
Reduced:	N3O3C20H20 (1)
Stoich.:	A3B3C20D20 (1)
Weight, g/mol:	384.135959
ΔH_f, kcal/mol:	-66.39
Dipole, Da:	4.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759976
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-2-[2-(2-fluorophenoxy)ethylcarbamoylamino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-]

DOS

IR

Vibrations