Geometry & MOs

Info

ID:	22591
PubChem CID:	597856
Reduced:	SCl2O2N4C22H22 (1)
Stoich.:	AB2C2D4E22F22 (1)
Weight, g/mol:	476.084052
ΔH_f, kcal/mol:	49.62
Dipole, Da:	3.83
IP(EA), eV:	-8.97(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,24-dichloro-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diol

Drug info:

PubChemData

Smile

C1CN=CC2=C(C(=CC(=C2)Cl)C=NCCSCCN=CC3=CC(=CC(=C3O)C=N1)Cl)O

DOS

IR

Vibrations