Geometry & MOs

Info

ID:	227324
PubChem CID:	87561265
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	979.003061
ΔH_f, kcal/mol:	-29.09
Dipole, Da:	5.13
IP(EA), eV:	-8.94(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propanedioate;tris-decylazanium

Drug info:

PubChemData

Smile

CC(C)C1=C/C(=C/2\NNC(=S)N2C3=CC4=C(CC(=O)C4)C=C3)/C(=O)C=C1O

DOS

IR

Vibrations