Geometry & MOs

Info

ID:	318351
PubChem CID:	126650615
Reduced:	SN2F4O5H20C24 (1)
Stoich.:	AB2C4D5E20F24 (1)
Weight, g/mol:	556.139211
ΔH_f, kcal/mol:	-306.42
Dipole, Da:	6.13
IP(EA), eV:	-9.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(6-ethoxypyridin-3-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1COC2=C(C1C3=C(C=C(C=C3)C(F)(F)F)OC4COC4)C=CC(=C2)S(=O)(=O)NC5=NC(=CC=C5)F

DOS

IR

Vibrations