Geometry & MOs

Info

ID:

173030

PubChem CID:

75585967

Reduced:

O7N8C31H46 (1)

Stoich.:

A7B8C31D46 (1)

Weight, g/mol:

786.273442

ΔHf, kcal/mol:

-280.15

Dipole, Da:

6.69

IP(EA), eV:

 -8.36(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-amino-N-[5-amino-7-(2-aminoethylamino)-7-oxoheptyl]-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;tetrahydrochloride

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

DOS

IR

Vibrations