Geometry & MOs

Info

ID:	207052
PubChem CID:	80339102
Reduced:	SN2O5C13H24 (1)
Stoich.:	AB2C5D13E24 (1)
Weight, g/mol:	286.15037
ΔH_f, kcal/mol:	-229.29
Dipole, Da:	4.73
IP(EA), eV:	-9.26(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(4-tert-butylphenyl)sulfanylpyridin-4-yl]ethanamine

Drug info:

PubChemData

Smile

CC1CN(CC1C(=O)OC)S(=O)(=O)N2CC(OC(C2)C)C

DOS

IR

Vibrations