Geometry & MOs

Info

ID:	340274
PubChem CID:	127262285
Reduced:	OCl2N2S2C5H14 (1)
Stoich.:	AB2C2D2E5F14 (1)
Weight, g/mol:	373.319209
ΔH_f, kcal/mol:	-111.57
Dipole, Da:	2.02
IP(EA), eV:	-9.69(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carboxymethyl(trimethyl)azanium;hexadecanoate

Drug info:

PubChemData

Smile

C(CSC(=O)SCCN)N.Cl.Cl

DOS

IR

Vibrations