Geometry & MOs

Info

ID:	37425
PubChem CID:	8020931
Reduced:	ClSN2O5C18H21 (1)
Stoich.:	ABC2D5E18F21 (1)
Weight, g/mol:	363.114044
ΔH_f, kcal/mol:	-162.63
Dipole, Da:	1.17
IP(EA), eV:	-9.31(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-cyclopropyl-2-[[2-[(2E,4E)-hexa-2,4-dienoyl]oxyacetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations