Geometry & MOs

Info

ID:	11162
PubChem CID:	111541
Reduced:	N3O6C33H49 (1)
Stoich.:	A3B6C33D49 (1)
Weight, g/mol:	583.362136
ΔH_f, kcal/mol:	-178.51
Dipole, Da:	4.06
IP(EA), eV:	-9.17(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[2-(dihydroxyamino)-4-octadecanoyliminocyclohexa-2,5-dien-1-ylidene]amino]phenyl] ethyl carbonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N=C1C=CC(=NC2=CC=C(C=C2)OC(=O)OCC)C(=C1)N(O)O

DOS

IR

Vibrations