Geometry & MOs

Info

ID:	37228
PubChem CID:	8018534
Reduced:	ClN2O2F3H12C17 (1)
Stoich.:	AB2C2D3E12F17 (1)
Weight, g/mol:	389.106336
ΔH_f, kcal/mol:	-176.95
Dipole, Da:	4.72
IP(EA), eV:	-9.43(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-cyanobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)OC2=CC=CC=C2C#N

DOS

IR

Vibrations