Geometry & MOs

Info

ID:	63821
PubChem CID:	26759258
Reduced:	ClNF3O3H15C18 (1)
Stoich.:	ABC3D3E15F18 (1)
Weight, g/mol:	433.077105
ΔH_f, kcal/mol:	-261.61
Dipole, Da:	2.42
IP(EA), eV:	-9.16(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations