Geometry & MOs

Info

ID:	124575
PubChem CID:	50887997
Reduced:	S2N4O4H12C17 (1)
Stoich.:	A2B4C4D12E17 (1)
Weight, g/mol:	417.06153
ΔH_f, kcal/mol:	-13.65
Dipole, Da:	6.06
IP(EA), eV:	-9.34(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxy-2-oxoethyl) 2-chloro-5-[5-[(Z)-(3-methyl-5-oxo-1,2-oxazol-4-ylidene)methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

C1=CN(C(=C1)/C=C(\C#N)/C(=O)O)C2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3

DOS

IR

Vibrations