Geometry & MOs

Info

ID:	436483
PubChem CID:	135203800
Reduced:	ClN5H8C11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	343.13795
ΔH_f, kcal/mol:	92.01
Dipole, Da:	4.74
IP(EA), eV:	-9.14(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-diazonio-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-hydroxy-6-oxohex-1-en-2-olate

Drug info:

PubChemData

Smile

C1=CC(=NC2=C1N(C=C2)C3=NC(=NC=C3)N)Cl

DOS

IR

Vibrations