Geometry & MOs

Info

ID:	60206
PubChem CID:	26675902
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	470.131171
ΔH_f, kcal/mol:	-178.58
Dipole, Da:	8.09
IP(EA), eV:	-9.04(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations