Geometry & MOs

Info

ID:

173032

PubChem CID:

75586395

Reduced:

Cl3O6N7C27H40 (1)

Stoich.:

A3B6C7D27E40 (1)

Weight, g/mol:

555.280532

ΔHf, kcal/mol:

-332.79

Dipole, Da:

2.47

IP(EA), eV:

 -9.28(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-amino-N-[2-(2-aminoethylamino)-2-oxoethyl]-11-(3-aminopropyl)-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxamide

Drug info:

PubChemData

Smile

C1C(C(=O)NC(C(=O)NC(CC2=C(C=CC(=C2)C3=CC1=C(C=C3)O)O)C(=O)NCC(=O)NCCN)CCCN)N.Cl.Cl.Cl

DOS

IR

Vibrations