Geometry & MOs

Info

ID:	63542
PubChem CID:	26758582
Reduced:	FNO4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	391.098664
ΔH_f, kcal/mol:	-226.16
Dipole, Da:	2.93
IP(EA), eV:	-9.98(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(C)(C)C)OC(=O)CCC(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations