Geometry & MOs

Info

ID:	427338
PubChem CID:	135157318
Reduced:	SO12F18H20C24 (1)
Stoich.:	AB12C18D20E24 (1)
Weight, g/mol:	373.18305
ΔH_f, kcal/mol:	-1446.27
Dipole, Da:	10.7
IP(EA), eV:	-11.59(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis[(3E)-hexa-1,3,5-trien-3-yl]-1H-phenanthro[9,10-b]pyrrole

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(=O)OCCC(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)O)C(=O)OCCC(C(F)(F)F)(C(F)(F)F)O)C(O)OCCC(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations