Geometry & MOs

Info

ID:	401270
PubChem CID:	135050749
Reduced:	N6O9H18C20 (1)
Stoich.:	A6B9C18D20 (1)
Weight, g/mol:	324.098431
ΔH_f, kcal/mol:	-257.17
Dipole, Da:	8.05
IP(EA), eV:	-9.31(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-3-(N-benzoylanilino)-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC(=O)C2=NC(=NC=C2O)CO)NC(=O)C3=NC(=NC=C3O)CO)C(=O)N)O

DOS

IR

Vibrations