Geometry & MOs

Info

ID:	188490
PubChem CID:	77723738
Reduced:	ClNSO5C26H28 (1)
Stoich.:	ABCD5E26F28 (1)
Weight, g/mol:	543.044077
ΔH_f, kcal/mol:	-169.07
Dipole, Da:	7.17
IP(EA), eV:	-9.48(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfonylphenyl] acetate;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CCNCC(C3=CC(=CC=C3)Cl)O)C)OC(=O)C

DOS

IR

Vibrations