Geometry & MOs

Info

ID:	322061
PubChem CID:	126668466
Reduced:	OSF4N5H19C24 (1)
Stoich.:	ABC4D5E19F24 (1)
Weight, g/mol:	498.092868
ΔH_f, kcal/mol:	-105.9
Dipole, Da:	3.25
IP(EA), eV:	-8.99(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=C(C=CC(=C2)C(F)(F)F)C3CCOC4=C3C=CC(=C4)SNC5=NC=C(C=N5)F

DOS

IR

Vibrations