Geometry & MOs

Info

ID:	398387
PubChem CID:	135033055
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	670.294391
ΔH_f, kcal/mol:	-68.35
Dipole, Da:	5.3
IP(EA), eV:	-9.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,4S)-1-(N-benzylanilino)-2-diazonio-1-oxo-5-phenylmethoxy-4-(tritylamino)pent-2-en-3-olate

Drug info:

PubChemData

Smile

CCOC(=O)C12C(C3=CC=CC=C3N1)NC(=O)N=C2C

DOS

IR

Vibrations