Geometry & MOs

Info

ID:	233016
PubChem CID:	87690733
Reduced:	ClNC13H20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	599.513358
ΔH_f, kcal/mol:	10.4
Dipole, Da:	11.44
IP(EA), eV:	-8.2(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

35-hydroxypentatriacontylcarbamodithioic acid

Drug info:

PubChemData

Smile

CC(C)[NH+](CC=C)CC1=CC=CC=C1.[Cl-]

DOS

IR

Vibrations