Geometry & MOs

Info

ID:

318325

PubChem CID:

126650513

Reduced:

SN3O3F5H18C22 (1)

Stoich.:

AB3C3D5E18F22 (1)

Weight, g/mol:

550.075645

ΔHf, kcal/mol:

-290.5

Dipole, Da:

6.95

IP(EA), eV:

 -9.5(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-N-(5-fluoropyrimidin-2-yl)-4-[2-(2-methyl-1,3-thiazol-4-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1COC2=C(C1C3=C(C=C(C=C3)C(F)(F)F)CCF)C=CC(=C2)S(=O)(=O)NC4=NC=C(C=N4)F

DOS

IR

Vibrations