Geometry & MOs

Info

ID:	127181
PubChem CID:	50993539
Reduced:	ClFNO9C27H27 (1)
Stoich.:	ABCD9E27F27 (1)
Weight, g/mol:	292.022787
ΔH_f, kcal/mol:	-389.42
Dipole, Da:	9.42
IP(EA), eV:	-8.73(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-oxa-11,15-dithiatetracyclo[8.6.1.01,10.03,8]heptadeca-3,5,7-triene-2,9-dione

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)N2C=C(C3=C2C=CC=C3Cl)C(C4=CC(=C(C=C4)OC)F)O

DOS

IR

Vibrations