Geometry & MOs

Info

ID:	28453
PubChem CID:	827707
Reduced:	ON3H15C23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	345.139865
ΔH_f, kcal/mol:	114.74
Dipole, Da:	4.58
IP(EA), eV:	-9.6(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-methylbenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC=C(C=C4)C#N

DOS

IR

Vibrations