Geometry & MOs

Info

ID:	44125
PubChem CID:	10500912
Reduced:	OSN5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	395.095807
ΔH_f, kcal/mol:	49.11
Dipole, Da:	6.35
IP(EA), eV:	-8.46(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]benzoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCNC(=O)C2=CN=CC=C2)C3=NSC4=CC=CC=C43

DOS

IR

Vibrations