Geometry & MOs

Info

ID:	230941
PubChem CID:	87572294
Reduced:	NSO2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	496.424008
ΔH_f, kcal/mol:	-50.02
Dipole, Da:	3.17
IP(EA), eV:	-8.21(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodecyl (2S)-5-amino-2-(dodecanoylamino)-5-oxopentanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C=O)C2=C(OCCS2)C

DOS

IR

Vibrations