Geometry & MOs

Info

ID:	394909
PubChem CID:	135024109
Reduced:	FNO8C14H20 (1)
Stoich.:	ABC8D14E20 (1)
Weight, g/mol:	390.074879
ΔH_f, kcal/mol:	-428.81
Dipole, Da:	4.54
IP(EA), eV:	-10.25(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6R)-3-acetyloxy-6-[4-(trifluoromethyl)phenyl]sulfanyl-3,6-dihydro-2H-pyran-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)NC1[C@@H](OC([C@H](C1F)OC(=O)C)COC(=O)C)OC(=O)C

DOS

IR

Vibrations