Geometry & MOs

Info

ID:	409060
PubChem CID:	135081834
Reduced:	BC15H29 (1)
Stoich.:	AB15C29 (1)
Weight, g/mol:	305.054421
ΔH_f, kcal/mol:	-74.48
Dipole, Da:	0.06
IP(EA), eV:	-9.31(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-ethoxy-2-isoquinolin-2-ium-2-yl-3-methylsulfanyl-3-sulfanylideneprop-1-en-1-olate

Drug info:

PubChemData

Smile

B1(CCC[C@@H]2[C@@H]1CCCC2)C(C)(C)C(C)C

DOS

IR

Vibrations