Geometry & MOs

Info

ID:	140271
PubChem CID:	52672496
Reduced:	SN3O5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	469.118181
ΔH_f, kcal/mol:	-109.03
Dipole, Da:	9.85
IP(EA), eV:	-8.49(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(Z)-2-cyano-1-(2-ethoxyanilino)-3-oxo-3-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]prop-1-en-1-olate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N/C(=C(\C#N)/C(=O)C2=CC(=CC=C2)N3CCCS3(=O)=O)/O

DOS

IR

Vibrations