Geometry & MOs

Info

ID:	194262
PubChem CID:	78504764
Reduced:	ClNO5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	386.164185
ΔH_f, kcal/mol:	-172.96
Dipole, Da:	8.21
IP(EA), eV:	-9.22(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-fluoroanilino)-2-oxoethyl] 3-methyl-2-[(2-phenylacetyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C)NC(=O)C3=CC=CC=C3Cl)C

DOS

IR

Vibrations