Geometry & MOs

Info

ID:	402507
PubChem CID:	135056230
Reduced:	NO15C41H67 (1)
Stoich.:	AB15C41D67 (1)
Weight, g/mol:	327.984208
ΔH_f, kcal/mol:	-658.85
Dipole, Da:	6.66
IP(EA), eV:	-9.04(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chlorophenyl)-2-methylsulfonyloxyethyl] methanesulfonate

Drug info:

Smile

CCC(=O)O[C@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C

DOS

IR

Vibrations