Geometry & MOs

Info

ID:	89407
PubChem CID:	49961488
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	510.182458
ΔH_f, kcal/mol:	-115.24
Dipole, Da:	6.54
IP(EA), eV:	-8.26(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylpropyl 4-[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCCOC(=O)CCC(=O)NC(=S)N1CCCC2=CC=CC=C21

DOS

IR

Vibrations