Geometry & MOs

Info

ID:	139142
PubChem CID:	52482645
Reduced:	ClN2O3H17C20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	415.088972
ΔH_f, kcal/mol:	-56.2
Dipole, Da:	2.74
IP(EA), eV:	-8.96(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2-methoxyphenyl)methyl 3-(benzenesulfonamido)benzoate

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2[C@@H]1NC(=O)COC3=C4C(=C(C=C3)Cl)C=CC=N4

DOS

IR

Vibrations