Geometry & MOs

Info

ID:

173029

PubChem CID:

75585966

Reduced:

Cl4O7N8C31H50 (1)

Stoich.:

A4B7C8D31E50 (1)

Weight, g/mol:

642.348946

ΔHf, kcal/mol:

-370.75

Dipole, Da:

9.57

IP(EA), eV:

 -8.8(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-amino-N-[5-amino-1-(2-aminoethylamino)-1-oxopentan-2-yl]-11-(3-amino-2-hydroxypropyl)-5,17-dihydroxy-9-methyl-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

CN1C(CC2=C(C=CC(=C2)C3=CC(=C(C=C3)O)CC(C(=O)NC(C1=O)CC(CN)O)N)O)C(=O)NC(CCCN)C(=O)NCCN.Cl.Cl.Cl.Cl

DOS

IR

Vibrations