Geometry & MOs

Info

ID:	446504
PubChem CID:	135275530
Reduced:	ISF2N2O2H11C18 (1)
Stoich.:	ABC2D2E2F11G18 (1)
Weight, g/mol:	612.16066
ΔH_f, kcal/mol:	-30.17
Dipole, Da:	2.63
IP(EA), eV:	-8.86(-2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxooxolan-3-yl) 3-[10-[(2-oxooxolan-3-yl)sulfanylmethyl]anthracen-2-yl]anthracene-9-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C3C(=CC(=C2)C#CSI)N=C(C=N3)OC(F)F

DOS

IR

Vibrations