Geometry & MOs

Info

ID:	391318
PubChem CID:	135004299
Reduced:	N3O6H19C23 (1)
Stoich.:	A3B6C19D23 (1)
Weight, g/mol:	387.144865
ΔH_f, kcal/mol:	-74.62
Dipole, Da:	9.05
IP(EA), eV:	-8.73(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (E)-2-[N-tert-butyl-C-[(E)-3-chloro-4-oxopent-2-en-2-yl]oxycarbonimidoyl]but-2-enedioate

Drug info:

PubChemData

Smile

COC(=O)/C=C(\C(=O)OC)/N1C=CC2=CC=CC=C2C1C3=CNC4=C3C=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations