Geometry & MOs

Info

ID:	225621
PubChem CID:	85856713
Reduced:	OF4H20C25 (1)
Stoich.:	AB4C20D25 (1)
Weight, g/mol:	597.966396
ΔH_f, kcal/mol:	-159.57
Dipole, Da:	7.72
IP(EA), eV:	-9.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,12-dichloro-6,16-bis(2-chlorophenyl)-10,20-dithia-4,5,7,8,14,15,17,18-octazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-6,8,16,18-tetraene

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2=CC(=C(C(=C2)F)C3=CC4=CC(=C(C=C4C3)F)F)F

DOS

IR

Vibrations