Geometry & MOs

Info

ID:	270089
PubChem CID:	103626709
Reduced:	BrN2S2O4C11H15 (1)
Stoich.:	AB2C2D4E11F15 (1)
Weight, g/mol:	320.048318
ΔH_f, kcal/mol:	-127.22
Dipole, Da:	7.46
IP(EA), eV:	-9.23(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCCC1CNS(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

DOS

IR

Vibrations