Geometry & MOs

Info

ID:

322099

PubChem CID:

126668595

Reduced:

ClN2S2O7H21C24 (1)

Stoich.:

AB2C2D7E21F24 (1)

Weight, g/mol:

528.144296

ΔHf, kcal/mol:

-187.92

Dipole, Da:

6.18

IP(EA), eV:

 -9.17(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(6-methylpyridin-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(C=C(O2)C3=C(C=CN3S(=O)(=O)C4=CC=C(C=C4)C)Cl)OC

DOS

IR

Vibrations