Geometry & MOs

Info

ID:	218166
PubChem CID:	85088979
Reduced:	NSO6C22H29 (1)
Stoich.:	ABC6D22E29 (1)
Weight, g/mol:	436.107064
ΔH_f, kcal/mol:	-254.1
Dipole, Da:	2.68
IP(EA), eV:	-8.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-benzamido-2-[2-(4-fluoro-2-nitrosophenyl)ethenyl]-6-oxopyran-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NS(=O)(=O)OC1=C(C=C2C3CCC4(C(C3CCC2=C1)CCCC4=O)C)OC

DOS

IR

Vibrations