Geometry & MOs

Info

ID:

296813

PubChem CID:

117594482

Reduced:

O3Cl4N4C22H26 (1)

Stoich.:

A3B4C4D22E26 (1)

Weight, g/mol:

850.276495

ΔHf, kcal/mol:

-115.35

Dipole, Da:

2.25

IP(EA), eV:

 -9.15(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;5-hydroxy-2,8-dimethyl-6,9-dihydropyrano[3,2-h][1]benzoxepin-4-one;2-hydroxyethanesulfonic acid

Drug info:

PubChemData

Smile

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3.C(CCl)N(CCCl)CCCl.Cl

DOS

IR

Vibrations