Geometry & MOs

Info

ID:	37456
PubChem CID:	8021305
Reduced:	ClNF2O3H14C18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	365.063027
ΔH_f, kcal/mol:	-171.8
Dipole, Da:	3.64
IP(EA), eV:	-9.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)/C=C/C2=CC(=CC=C2)F

DOS

IR

Vibrations