Geometry & MOs

Info

ID:	188487
PubChem CID:	77723735
Reduced:	ClNSO5C26H28 (1)
Stoich.:	ABCD5E26F28 (1)
Weight, g/mol:	577.168972
ΔH_f, kcal/mol:	-167.22
Dipole, Da:	9.73
IP(EA), eV:	-9.46(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[2-[benzyl-[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfonylphenyl] propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(=O)C)C)S(=O)(=O)C2=CC=C(C=C2)CCNCC(C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations