Geometry & MOs

Info

ID:	184893
PubChem CID:	77225451
Reduced:	ClN2S2O5C29H37 (1)
Stoich.:	AB2C2D5E29F37 (1)
Weight, g/mol:	556.206565
ΔH_f, kcal/mol:	-207.96
Dipole, Da:	9.23
IP(EA), eV:	-8.82(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-N-(2-methoxyethylsulfonyl)-2-propan-2-ylsulfanylbenzamide

Drug info:

PubChemData

Smile

CC(C)SC1=C(C=CC(=C1)C2=CC=C(C=C2)CCNCC(C3=CC=CC=C3)O)C(=O)NS(=O)(=O)CCOC.Cl

DOS

IR

Vibrations