Geometry & MOs

Info

ID:	176525
PubChem CID:	76062325
Reduced:	N3O6C28H33 (1)
Stoich.:	A3B6C28D33 (1)
Weight, g/mol:	568.372367
ΔH_f, kcal/mol:	-192.34
Dipole, Da:	5.51
IP(EA), eV:	-9.47(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-carboxy-4-(octadecanoylamino)butanoyl]amino]hept-3-enedioic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)N(C1=O)COCC2=CC=CC=C2)C3CC(C(O3)COCCC#N)OCC4=CC=CC=C4

DOS

IR

Vibrations