Geometry & MOs

Info

ID:	435205
PubChem CID:	135184677
Reduced:	SF4N4O4H24C28 (1)
Stoich.:	AB4C4D4E24F28 (1)
Weight, g/mol:	498.092868
ΔH_f, kcal/mol:	-259.41
Dipole, Da:	7.47
IP(EA), eV:	-9.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

CC(C)OC1=NC=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)C3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=C(C=N5)F

DOS

IR

Vibrations