Geometry & MOs

Info

ID:	57379
PubChem CID:	22395795
Reduced:	N2O3C24H48 (1)
Stoich.:	A2B3C24D48 (1)
Weight, g/mol:	548.385909
ΔH_f, kcal/mol:	-203.01
Dipole, Da:	11.26
IP(EA), eV:	-8.98(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[dimethyl-[1-(octadecanoylamino)ethyl]azaniumyl]-2-methyl-5-sulfopentanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)NC(CCC)[N+](C)(C)C(C)(C)C(=O)[O-]

DOS

IR

Vibrations