Geometry & MOs

Info

ID:	185146
PubChem CID:	77261928
Reduced:	ON4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	557.163887
ΔH_f, kcal/mol:	2.56
Dipole, Da:	1.65
IP(EA), eV:	-9.66(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methylsulfanyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

C1CNC2C1C(=O)NC(N2)C3=CN=CC=C3

DOS

IR

Vibrations