Geometry & MOs

Info

ID:	226997
PubChem CID:	87559504
Reduced:	NSO5C29H35 (1)
Stoich.:	ABC5D29E35 (1)
Weight, g/mol:	286.087495
ΔH_f, kcal/mol:	-135.16
Dipole, Da:	3.35
IP(EA), eV:	-8.45(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl phenylmethanesulfonate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=C(C3=C(N2CC=C)C=C(C=C3)C(=O)OC)C4CCCCC4)C=O.CS(=O)C

DOS

IR

Vibrations