Geometry & MOs

Info

ID:	190281
PubChem CID:	77980493
Reduced:	FON4C24H31 (1)
Stoich.:	ABC4D24E31 (1)
Weight, g/mol:	523.137299
ΔH_f, kcal/mol:	-34.36
Dipole, Da:	5.99
IP(EA), eV:	-8.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-diacetyloxy-2-[(6-methylsulfanyl-10,11-dioxo-3,5,7,9,12-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)methoxy]pentyl] acetate

Drug info:

PubChemData

Smile

CCCCNC(=O)NCCC12CCCCC1=CC3=C(N=CN3C2)C4=CC=C(C=C4)F

DOS

IR

Vibrations