Geometry & MOs

Info

ID:	179974
PubChem CID:	76559888
Reduced:	OF2Y2H6C9 (1)
Stoich.:	AB2C2D6E9 (1)
Weight, g/mol:	452.178373
ΔH_f, kcal/mol:	-102.49
Dipole, Da:	4.26
IP(EA), eV:	-5.16(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[4-[4-[4-(difluoromethyl)triazol-1-yl]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C([C-]=C1)CC(=C(F)F)[O-].[Y].[Y]

DOS

IR

Vibrations