Geometry & MOs

Info

ID:	322081
PubChem CID:	126668529
Reduced:	SN3O3F5H20C23 (1)
Stoich.:	AB3C3D5E20F23 (1)
Weight, g/mol:	539.113805
ΔH_f, kcal/mol:	-296.93
Dipole, Da:	6.31
IP(EA), eV:	-9.51(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-(5-fluoropyrimidin-2-yl)-4-methyl-4-[2-(oxetan-3-yloxy)-4-(trifluoromethyl)phenyl]-2,3-dihydrochromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1COC2=C([C@H]1C3=C(C=C(C=C3)C(F)(F)F)CCC(F)F)C=CC(=C2)S(=O)(=O)NC4=NN=CC=C4

DOS

IR

Vibrations