Geometry & MOs

Info

ID:	292303
PubChem CID:	114916317
Reduced:	SO3N4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	276.056863
ΔH_f, kcal/mol:	-43.75
Dipole, Da:	4.43
IP(EA), eV:	-8.96(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=C1NC(=O)CN2C=CN=N2)C(=O)OC

DOS

IR

Vibrations