Geometry & MOs

Info

ID:	217426
PubChem CID:	85087799
Reduced:	O7C18H34 (1)
Stoich.:	A7B18C34 (1)
Weight, g/mol:	362.085781
ΔH_f, kcal/mol:	-364.21
Dipole, Da:	0.56
IP(EA), eV:	-9.73(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,4-dimethyl-11-(methylsulfanylcarbonylsulfanylmethyl)-3,5,7-trioxatricyclo[6.3.0.02,6]undecan-9-yl] acetate

Drug info:

PubChemData

Smile

CC1C(C(C(OC1C(C)COC)(C(C)C(=O)OC(C)(C)C)O)OC)O

DOS

IR

Vibrations