Geometry & MOs

Info

ID:

89860

PubChem CID:

49965070

Reduced:

SO2F3N3H20C24 (1)

Stoich.:

AB2C3D3E20F24 (1)

Weight, g/mol:

409.107183

ΔHf, kcal/mol:

-177.84

Dipole, Da:

4.48

IP(EA), eV:

 -8.98(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-22-(trifluoromethyl)-12-thia-3,9,14-triazapentacyclo[11.9.0.02,11.05,9.015,21]docosa-1(22),2(11),13,15(21)-tetraene-4,10-dione

Drug info:

PubChemData

Smile

C1C[C@@H]2C(=O)NC3=C(C(=O)N2C1)SC4=NC5=C(CC(CC5)C6=CC=CC=C6)C(=C34)C(F)(F)F

DOS

IR

Vibrations