Geometry & MOs

Info

ID:	337803
PubChem CID:	127258426
Reduced:	ClNOSC17H36 (1)
Stoich.:	ABCDE17F36 (1)
Weight, g/mol:	301.243936
ΔH_f, kcal/mol:	-132.32
Dipole, Da:	2.1
IP(EA), eV:	-9.05(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(2-amino-3-methyldodecyl) butanethioate

Drug info:

PubChemData

Smile

CCCCCCCCCC(C)C(COC(=S)CCC)N.Cl

DOS

IR

Vibrations