Geometry & MOs

Info

ID:	133325
PubChem CID:	51508906
Reduced:	FN3O4C27H30 (1)
Stoich.:	AB3C4D27E30 (1)
Weight, g/mol:	479.222035
ΔH_f, kcal/mol:	-170.85
Dipole, Da:	7.25
IP(EA), eV:	-8.51(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations