Geometry & MOs

Info

ID:	207791
PubChem CID:	80449909
Reduced:	ON2S2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	287.111063
ΔH_f, kcal/mol:	-16.43
Dipole, Da:	3.08
IP(EA), eV:	-8.66(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)sulfinyl-N-ethyl-3-methylpentan-2-amine

Drug info:

PubChemData

Smile

CCC(C)C1=C(SC(=N1)N2CCC3=C(C2C)C=CS3)CO

DOS

IR

Vibrations