Geometry & MOs

Info

ID:	366183
PubChem CID:	127319592
Reduced:	S2N3O3C15H23 (1)
Stoich.:	A2B3C3D15E23 (1)
Weight, g/mol:	351.071134
ΔH_f, kcal/mol:	-127.84
Dipole, Da:	6.37
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations