Geometry & MOs

Info

ID:	395112
PubChem CID:	135024680
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	0.76
IP(EA), eV:	-9.39(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-1-(4-methylphenyl)sulfonylbutyl]benzamide

Drug info:

PubChemData

Smile

C=C=C[C@H](CCCOCC1=CC=CC=C1)O

DOS

IR

Vibrations