Geometry & MOs

Info

ID:	372370
PubChem CID:	131296642
Reduced:	ClNO4H6C9 (1)
Stoich.:	ABC4D6E9 (1)
Weight, g/mol:	235.012556
ΔH_f, kcal/mol:	-49.75
Dipole, Da:	1.33
IP(EA), eV:	-9.93(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methylsulfanylthiophen-2-yl)-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C=CC=O)O)[N+](=O)[O-])Cl

DOS

IR

Vibrations