Geometry & MOs

Info

ID:	327364
PubChem CID:	126689692
Reduced:	SN2O5C27H57 (1)
Stoich.:	AB2C5D27E57 (1)
Weight, g/mol:	313.298079
ΔH_f, kcal/mol:	-300.93
Dipole, Da:	8.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753644
Charge, e:	0

Chem-info

IUPAC name:

dodecyl 4-(dimethylamino)pentanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCNC(=O)CCC[N+](C)(C)CC(CS(=O)(=O)O)O

DOS

IR

Vibrations