Geometry & MOs

Info

ID:	73813
PubChem CID:	48420514
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	412.098998
ΔH_f, kcal/mol:	-52.64
Dipole, Da:	1.5
IP(EA), eV:	-8.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 3-[(2-chloro-4-fluorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC(=O)OC(C2=CC=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations