Geometry & MOs

Info

ID:	398130
PubChem CID:	135031918
Reduced:	NSO5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	413.202465
ΔH_f, kcal/mol:	-168.71
Dipole, Da:	4.61
IP(EA), eV:	-8.6(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)-3-methylbut-2-en-2-yl]-4-methyl-N-(3-methylbut-3-enyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC2=CC=C(C=C2)OC)C(=O)OC

DOS

IR

Vibrations