Geometry & MOs

Info

ID:	298654
PubChem CID:	117653573
Reduced:	SN4O4C36H36 (1)
Stoich.:	AB4C4D36E36 (1)
Weight, g/mol:	433.029933
ΔH_f, kcal/mol:	-70.63
Dipole, Da:	5.86
IP(EA), eV:	-8.02(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-6-methoxyphenoxy)-3-cyano-N-(5-fluoropyridin-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N.C1CN2CCC1C(C2)CN3C4=CC=CC=C4SC5=CC=CC=C53

DOS

IR

Vibrations