Geometry & MOs

Info

ID:	395721
PubChem CID:	135026339
Reduced:	KO2H9C17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	341.16608
ΔH_f, kcal/mol:	-51.21
Dipole, Da:	13.18
IP(EA), eV:	-8.55(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-3-hydroxy-3-methylbut-1-enyl]-N-(3-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)C(=O)[O-])C=C2.[K+]

DOS

IR

Vibrations