Geometry & MOs

Info

ID:	312304
PubChem CID:	126604192
Reduced:	N2O6C12H27 (1)
Stoich.:	A2B6C12D27 (1)
Weight, g/mol:	496.067331
ΔH_f, kcal/mol:	-260.54
Dipole, Da:	3.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754277
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-2-adamantyl) 2-[2,4-bis(fluorosulfonyloxy)phenoxy]acetate

Drug info:

PubChemData

Smile

CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=O)C[N+](C)(C)C

DOS

IR

Vibrations