Geometry & MOs

Info

ID:	327350
PubChem CID:	126689642
Reduced:	SN2O5C22H47 (1)
Stoich.:	AB2C5D22E47 (1)
Weight, g/mol:	371.303559
ΔH_f, kcal/mol:	-278.17
Dipole, Da:	8.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754978
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylazaniumyl)-7-dodecoxy-7-oxoheptanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCNC(=O)CCCC[N+](C)(C)CC(CS(=O)(=O)O)O

DOS

IR

Vibrations