Geometry & MOs

Info

ID:	404952
PubChem CID:	135071852
Reduced:	NSO3H29C32 (1)
Stoich.:	ABC3D29E32 (1)
Weight, g/mol:	315.092915
ΔH_f, kcal/mol:	43.76
Dipole, Da:	4.42
IP(EA), eV:	-9.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-N-[1-(4-methylphenyl)but-3-ynyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C(C2=CC=CC=C2)C(C#CC3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations