Geometry & MOs

Info

ID:	208032
PubChem CID:	80482187
Reduced:	NS3O4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	340.97213
ΔH_f, kcal/mol:	-81.33
Dipole, Da:	9.8
IP(EA), eV:	-9.53(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromothiophen-2-yl)methyl]-2,4-dimethyl-6-oxopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC(=C1)S(=O)(=O)NCC2=C(C=CS2)/C=C/C(=O)O

DOS

IR

Vibrations