Geometry & MOs

Info

ID:	159955
PubChem CID:	57299399
Reduced:	SN3O8C26H37 (1)
Stoich.:	AB3C8D26E37 (1)
Weight, g/mol:	196.067034
ΔH_f, kcal/mol:	-300.86
Dipole, Da:	11.47
IP(EA), eV:	-8.84(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-3-yl-N-(2-sulfanylethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=C(C=C1)OCCCCN)NC(=O)O)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations