Geometry & MOs

Info

ID:	292297
PubChem CID:	114916134
Reduced:	SN3O3C12H13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	303.092915
ΔH_f, kcal/mol:	-70.59
Dipole, Da:	7.0
IP(EA), eV:	-8.57(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2,3-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C(=O)NC2=C(SC=C2C)C(=O)OC

DOS

IR

Vibrations