Geometry & MOs

Info

ID:	33711
PubChem CID:	7887609
Reduced:	O2N4S4C15H16 (1)
Stoich.:	A2B4C4D15E16 (1)
Weight, g/mol:	409.099537
ΔH_f, kcal/mol:	-15.49
Dipole, Da:	4.1
IP(EA), eV:	-9.03(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-ethyl-2-[[2-(2-fluoro-4-methoxybenzoyl)oxyacetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NCCN3C(=O)CSC3=S)C

DOS

IR

Vibrations