Geometry & MOs

Info

ID:	188479
PubChem CID:	77723248
Reduced:	ClNSO4C23H24 (1)
Stoich.:	ABCD4E23F24 (1)
Weight, g/mol:	549.174057
ΔH_f, kcal/mol:	-102.66
Dipole, Da:	9.17
IP(EA), eV:	-9.44(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[2-[4-(4-ethoxyphenyl)sulfonylphenyl]ethyl]amino]-1-(3-chlorophenyl)ethanol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1S(=O)(=O)C2=CC=C(C=C2)CCNCC(C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations