Geometry & MOs

Info

ID:	233018
PubChem CID:	87690778
Reduced:	SiO4C23H33 (1)
Stoich.:	AB4C23D33 (1)
Weight, g/mol:	234.122441
ΔH_f, kcal/mol:	-131.55
Dipole, Da:	1.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.041748
Charge, e:	0

Chem-info

IUPAC name:

9-aminononylcarbamodithioic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1/C=C/C(=O)C(C)C(=O)C(C)(C)C)O[Si])OC)C(C)(C)C)C

DOS

IR

Vibrations