Geometry & MOs

Info

ID:	262403
PubChem CID:	103291265
Reduced:	ClNOSC11H12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	287.111063
ΔH_f, kcal/mol:	4.04
Dipole, Da:	3.63
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenyl)methylsulfanyl]-2-(ethylamino)-2-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC(CC#N)S(=O)CC1=CC=CC=C1Cl

DOS

IR

Vibrations