Geometry & MOs

Info

ID:	29097
PubChem CID:	831620
Reduced:	ClO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-126.71
Dipole, Da:	4.26
IP(EA), eV:	-9.14(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-5-[(2,4-dimethylbenzoyl)amino]-4-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl

DOS

IR

Vibrations