Geometry & MOs

Info

ID:	340591
PubChem CID:	127262602
Reduced:	BSO4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	318.151433
ΔH_f, kcal/mol:	-248.92
Dipole, Da:	5.44
IP(EA), eV:	-9.86(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-N-[(1R)-1-(2-amino-5-pyridin-2-ylpyridin-4-yl)ethyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2S(=O)(=O)C(C)C

DOS

IR

Vibrations