Geometry & MOs

Info

ID:	136153
PubChem CID:	51987592
Reduced:	FN2O3H23C25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	467.242021
ΔH_f, kcal/mol:	-85.92
Dipole, Da:	5.01
IP(EA), eV:	-8.53(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NCC3=CC(=CC=C3)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations