Geometry & MOs

Info

ID:	30413
PubChem CID:	841289
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	320.046693
ΔH_f, kcal/mol:	-70.23
Dipole, Da:	3.63
IP(EA), eV:	-8.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)/C=C\2/C(=O)C3CCN2CC3

DOS

IR

Vibrations