Geometry & MOs

Info

ID:	37441
PubChem CID:	8021094
Reduced:	ClNF2O4H18C19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	397.089242
ΔH_f, kcal/mol:	-229.89
Dipole, Da:	2.35
IP(EA), eV:	-9.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(=O)N[C@@H](C)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations