Geometry & MOs

Info

ID:	28677
PubChem CID:	828899
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	297.022642
ΔH_f, kcal/mol:	-58.13
Dipole, Da:	2.0
IP(EA), eV:	-8.27(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-chloroanilino)-4-oxothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C[C@H](COC2=CC=CC=C2CC=C)O

DOS

IR

Vibrations