Geometry & MOs

Info

ID:

447595

PubChem CID:

135284112

Reduced:

Cl2F2S2N4O4H22C27 (1)

Stoich.:

A2B2C2D4E4F22G27 (1)

Weight, g/mol:

457.124232

ΔHf, kcal/mol:

-150.33

Dipole, Da:

7.46

IP(EA), eV:

 -9.09(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CN([C@H](C[C@H]1OC(=O)C2=CC(=CC(=C2)Cl)Cl)C3=CC=CC=C3)CC4=CC(=C(C=C4F)S(=O)(=O)NC5=NC=NS5)F

DOS

IR

Vibrations