Geometry & MOs

Info

ID:	146579
PubChem CID:	53707046
Reduced:	NOC13H27 (1)
Stoich.:	ABC13D27 (1)
Weight, g/mol:	233.095989
ΔH_f, kcal/mol:	-69.08
Dipole, Da:	0.17
IP(EA), eV:	-8.79(1.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(4R)-4-amino-4-carboxy-3-sulfanylbutylidene]-but-2-enyl-hydroxyazanium

Drug info:

PubChemData

Smile

CCCCON1C(CCCC1(C)C)(C)C

DOS

IR

Vibrations