Geometry & MOs

Info

ID:	395017
PubChem CID:	135024453
Reduced:	ClN8C31H35 (1)
Stoich.:	AB8C31D35 (1)
Weight, g/mol:	310.001094
ΔH_f, kcal/mol:	134.23
Dipole, Da:	6.28
IP(EA), eV:	-8.46(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2,3-dichloro-6-ethoxy-5-ethoxycarbonyl-6-oxohexa-2,4-dienoic acid

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)C3=C(N4C=CC=CC4=N3)NC5CCCCC5)NC6=CC=C(C=C6)Cl

DOS

IR

Vibrations