Geometry & MOs

Info

ID:	63476
PubChem CID:	26758454
Reduced:	NF2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	407.034762
ΔH_f, kcal/mol:	-221.91
Dipole, Da:	5.8
IP(EA), eV:	-8.5(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations