Geometry & MOs

Info

ID:	407273
PubChem CID:	135079723
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	174.046299
ΔH_f, kcal/mol:	-72.77
Dipole, Da:	3.04
IP(EA), eV:	-9.49(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-methoxy-4-methylsulfanylbut-1-en-1-olate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)CC(=CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations