Geometry & MOs

Info

ID:	16378
PubChem CID:	466148
Reduced:	SF2N4O4C15H16 (1)
Stoich.:	AB2C4D4E15F16 (1)
Weight, g/mol:	386.086033
ΔH_f, kcal/mol:	-176.25
Dipole, Da:	7.09
IP(EA), eV:	-10.2(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R)-6-(2,4-difluorophenyl)-5-methyl-4-methylsulfonyl-6-(1,2,4-triazol-1-ylmethyl)morpholin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@](OC(=O)CN1S(=O)(=O)C)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations