Geometry & MOs

Info

ID:	312909
PubChem CID:	126609752
Reduced:	N3O3C26H27 (1)
Stoich.:	A3B3C26D27 (1)
Weight, g/mol:	300.039105
ΔH_f, kcal/mol:	-7.97
Dipole, Da:	3.83
IP(EA), eV:	-8.92(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCC/C(=N\OC(=O)CC)/C(=O)C1=CN(C2=CC=CC=C21)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations