Geometry & MOs

Info

ID:

322153

PubChem CID:

126668944

Reduced:

NSO4F8H21C30 (1)

Stoich.:

ABC4D8E21F30 (1)

Weight, g/mol:

572.170511

ΔHf, kcal/mol:

-441.73

Dipole, Da:

8.51

IP(EA), eV:

 -9.38(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)C3CCOC4=C3C=CC(=C4)S(=O)OC5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations