Geometry & MOs

Info

ID:	8787
PubChem CID:	81468
Reduced:	N5O5H19C26 (1)
Stoich.:	A5B5C19D26 (1)
Weight, g/mol:	481.138619
ΔH_f, kcal/mol:	-69.69
Dipole, Da:	10.11
IP(EA), eV:	-8.32(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]naphthalen-1-yl]diazenyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)NC(=O)N5)O

DOS

IR

Vibrations