Geometry & MOs

Info

ID:	214600
PubChem CID:	85083257
Reduced:	SF2O5N6C24H34 (1)
Stoich.:	AB2C5D6E24F34 (1)
Weight, g/mol:	556.297094
ΔH_f, kcal/mol:	-249.62
Dipole, Da:	6.79
IP(EA), eV:	-8.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dibenzyl-2,8-bis(cyclopropylmethyl)-5-(2-methoxyethoxymethoxy)-1,2,8-thiadiazocane 1,1-dioxide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OC)NC(=S)N(C(C)C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations