Geometry & MOs

Info

ID:	133324
PubChem CID:	51508905
Reduced:	FSN3O4H22C25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	479.222035
ΔH_f, kcal/mol:	-125.82
Dipole, Da:	2.8
IP(EA), eV:	-8.79(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)OCC(=O)NCC3=CC=CS3)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations