Geometry & MOs

Info

ID:	297711
PubChem CID:	117626621
Reduced:	O2F3N4C24H25 (1)
Stoich.:	A2B3C4D24E25 (1)
Weight, g/mol:	272.06532
ΔH_f, kcal/mol:	-162.69
Dipole, Da:	7.53
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyridin-2-yldisulfanyl)ethyl 4-aminobutanoate

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)CC2=CC3=C(N2)C=CC(=C3)C4=NC(=CC=C4)C(=O)NC5(CC5)C(F)(F)F)CO

DOS

IR

Vibrations