Geometry & MOs

Info

ID:	188174
PubChem CID:	77677747
Reduced:	O2C37H58 (1)
Stoich.:	A2B37C58 (1)
Weight, g/mol:	540.229408
ΔH_f, kcal/mol:	-154.57
Dipole, Da:	3.52
IP(EA), eV:	-9.42(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[(1-hydroxy-1-phenylethyl)amino]ethoxy]phenyl]-N-methylsulfonyl-2-pentoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1.CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO

DOS

IR

Vibrations