Geometry & MOs

Info

ID:	327362
PubChem CID:	126689687
Reduced:	SN2O4C22H46 (1)
Stoich.:	AB2C4D22E46 (1)
Weight, g/mol:	357.287909
ΔH_f, kcal/mol:	-211.18
Dipole, Da:	15.99
IP(EA), eV:	-8.48(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-dodecoxy-4-oxobutyl)-dimethylazaniumyl]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCNC(CCC[N+](C)(C)CCCS(=O)(=O)[O-])C=O

DOS

IR

Vibrations