Geometry & MOs

Info

ID:	194507
PubChem CID:	78546581
Reduced:	NCl2F2O3H13C17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	387.024055
ΔH_f, kcal/mol:	-187.5
Dipole, Da:	1.84
IP(EA), eV:	-9.65(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=C(C=C2Cl)F)F

DOS

IR

Vibrations