Geometry & MOs

Info

ID:	131017
PubChem CID:	51145397
Reduced:	ClNF2O3H14C16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	354.053798
ΔH_f, kcal/mol:	-189.59
Dipole, Da:	6.32
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C(=CC=C2)OC)OC(F)F

DOS

IR

Vibrations