Geometry & MOs

Info

ID:	430189
PubChem CID:	135170252
Reduced:	ON2C22H30 (1)
Stoich.:	AB2C22D30 (1)
Weight, g/mol:	409.109627
ΔH_f, kcal/mol:	-35.26
Dipole, Da:	1.43
IP(EA), eV:	-8.41(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-2-[3-[4-[hydroxy(methylamino)methyl]phenyl]phenoxy]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC2=C3CCOCC3=C(N=C2C=C1CCCCN4CCCC4)C

DOS

IR

Vibrations