Geometry & MOs

Info

ID:	127839
PubChem CID:	51019019
Reduced:	SO2F5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	242.079038
ΔH_f, kcal/mol:	-275.53
Dipole, Da:	3.36
IP(EA), eV:	-8.91(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2S,3R,4R,6S,7S)-4-formyl-1-methyl-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)OC2([C@@H]3CC[C@H]2[C@H]4[C@H]3C4)C(C(F)(F)F)(F)F

DOS

IR

Vibrations