Geometry & MOs

Info

ID:

447591

PubChem CID:

135284070

Reduced:

S2O3F4N5C23H23 (1)

Stoich.:

A2B3C4D5E23F23 (1)

Weight, g/mol:

542.106946

ΔHf, kcal/mol:

-220.72

Dipole, Da:

7.18

IP(EA), eV:

 -9.11(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-[(2S,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1COC2=C(C1N3CCN(CC3C4=CC=C(C=C4)F)CC(F)(F)F)C=CC(=C2)S(=O)(=O)NC5=NC=NS5

DOS

IR

Vibrations