Geometry & MOs

Info

ID:	177167
PubChem CID:	76143226
Reduced:	FS3O5N9H20C22 (1)
Stoich.:	AB3C5D9E20F22 (1)
Weight, g/mol:	747.648923
ΔH_f, kcal/mol:	-21.44
Dipole, Da:	4.04
IP(EA), eV:	-9.27(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(1,6-diamino-1-oxohexan-2-yl)amino]-2-octadec-9-enoyloxypropyl] octadec-9-enoate

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOCC4=CC=C(C=C4)F)C5=CSC(=N5)N)SC2)C(=O)O

DOS

IR

Vibrations