Geometry & MOs

Info

ID:	194932
PubChem CID:	78610708
Reduced:	NSO6C20H23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	419.140259
ΔH_f, kcal/mol:	-216.51
Dipole, Da:	8.5
IP(EA), eV:	-9.15(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-(2-methylpropoxy)benzoate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(=O)OC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

DOS

IR

Vibrations