Geometry & MOs

Info

ID:

322133

PubChem CID:

126668785

Reduced:

SO6F8H24C33 (1)

Stoich.:

AB6C8D24E33 (1)

Weight, g/mol:

578.97367

ΔHf, kcal/mol:

-551.61

Dipole, Da:

9.15

IP(EA), eV:

 -9.73(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-N-(5-fluoropyrimidin-2-yl)-4-[2-iodo-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)[C@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)OC5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations