Geometry & MOs

Info

ID:	38040
PubChem CID:	8026561
Reduced:	SN4O5C16H22 (1)
Stoich.:	AB4C5D16E22 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-152.28
Dipole, Da:	4.16
IP(EA), eV:	-9.22(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2R)-3-(4-acetylphenoxy)-2-hydroxypropyl]-(2-methylpropyl)amino]propanenitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NCC2=CC=CO2)C)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations