Geometry & MOs

Info

ID:	180306
PubChem CID:	76612672
Reduced:	SO3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	410.237688
ΔH_f, kcal/mol:	-91.55
Dipole, Da:	5.9
IP(EA), eV:	-8.92(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-butoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-(oxaboriran-2-ylamino)propanamide

Drug info:

PubChemData

Smile

CC1CCC(=CC1S(=O)(=O)C2=CC=CC=C2)OC

DOS

IR

Vibrations