Geometry & MOs

Info

ID:	57377
PubChem CID:	22395791
Reduced:	N2O7C23H45 (1)
Stoich.:	A2B7C23D45 (1)
Weight, g/mol:	401.301547
ΔH_f, kcal/mol:	-381.21
Dipole, Da:	4.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755463
Charge, e:	1

Chem-info

IUPAC name:

1,2-dicarboxypropan-2-yl-[1-(dodecanoylamino)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)NC(CCO)[N+](C)(C)C(CCO)(CC(=O)O)C(=O)O

DOS

IR

Vibrations