Geometry & MOs

Info

ID:	407225
PubChem CID:	135079617
Reduced:	ON3H21C23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	250.077599
ΔH_f, kcal/mol:	63.05
Dipole, Da:	1.73
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-benzylsulfanyl-2-diazonio-1-ethoxyprop-1-en-1-olate

Drug info:

PubChemData

Smile

CNC(=O)/N=C(\C1=CC=CC=C1)/NC(=CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations