Geometry & MOs

Info

ID:	227296
PubChem CID:	87561118
Reduced:	ClNaS2H3O3C4 (1)
Stoich.:	ABC2D3E3F4 (1)
Weight, g/mol:	395.339944
ΔH_f, kcal/mol:	-155.87
Dipole, Da:	7.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765621
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-16-[butanoyl(propan-2-yl)amino]hexadec-11-enoate

Drug info:

PubChemData

Smile

C1=CSC(=C1S(=O)(=O)O)Cl.[Na]

DOS

IR

Vibrations