Geometry & MOs

Info

ID:	405135
PubChem CID:	135072665
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-125.26
Dipole, Da:	4.7
IP(EA), eV:	-9.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-3-ethoxy-1-(2-methyldeca-3,4-dienoxy)-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CC(C)CC(=C)C

DOS

IR

Vibrations