Geometry & MOs

Info

ID:	328242
PubChem CID:	126700350
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	327.150429
ΔH_f, kcal/mol:	19.08
Dipole, Da:	4.29
IP(EA), eV:	-8.36(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-tert-butyl-2-hydroxy-5-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SN(O)OCCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations