Geometry & MOs

Info

ID:	242993
PubChem CID:	99214901
Reduced:	SN2O5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	407.140259
ΔH_f, kcal/mol:	-159.84
Dipole, Da:	4.05
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[2-(3,5-dimethylphenoxy)ethylsulfamoyl]phenoxy]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCCNS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3)C

DOS

IR

Vibrations