Geometry & MOs

Info

ID:	273693
PubChem CID:	103771754
Reduced:	BrNSO3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-46.39
Dipole, Da:	2.16
IP(EA), eV:	-9.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[1-(oxan-4-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CSC=C1C(CNC(=O)/C=C/C2=CC=C(O2)Br)O

DOS

IR

Vibrations