Geometry & MOs

Info

ID:	298643
PubChem CID:	117653417
Reduced:	N3O8C32H45 (1)
Stoich.:	A3B8C32D45 (1)
Weight, g/mol:	412.044168
ΔH_f, kcal/mol:	-275.85
Dipole, Da:	4.41
IP(EA), eV:	-8.85(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-4-(2-cyano-3-fluorophenoxy)-N-(5-fluoropyridin-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(\[C@@H]([C@H](/C=C/C=C(/C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCC=C)C)\C)OC)OC(=O)N)/C)C)O)OC

DOS

IR

Vibrations