Geometry & MOs

Info

ID:	406540
PubChem CID:	135078013
Reduced:	NS2O3C25H35 (1)
Stoich.:	AB2C3D25E35 (1)
Weight, g/mol:	383.94171
ΔH_f, kcal/mol:	-108.98
Dipole, Da:	3.99
IP(EA), eV:	-8.6(0.12)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC2=C(CC3C4(C2(CCN3CC5CC5)CC(CC4)(C6SCCCS6)O)O)C=C1

DOS

IR

Vibrations