Geometry & MOs

Info

ID:	195462
PubChem CID:	78689862
Reduced:	SN3O3C15H21 (1)
Stoich.:	AB3C3D15E21 (1)
Weight, g/mol:	375.121906
ΔH_f, kcal/mol:	-79.23
Dipole, Da:	6.25
IP(EA), eV:	-8.13(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[5-[2-(4-cyano-5-methyl-3-oxo-4H-pyridazin-6-yl)ethenyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1CCS(=O)(=O)C1)C2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations