Geometry & MOs

Info

ID:	134475
PubChem CID:	51702496
Reduced:	ClSO3H21C22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	389.048857
ΔH_f, kcal/mol:	-73.76
Dipole, Da:	5.07
IP(EA), eV:	-8.74(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(8-chloronaphthalen-1-yl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C(=CC=C4)Cl

DOS

IR

Vibrations