Geometry & MOs

Info

ID:

173028

PubChem CID:

75585965

Reduced:

NS2O12C19H35 (1)

Stoich.:

AB2C12D19E35 (1)

Weight, g/mol:

788.252707

ΔHf, kcal/mol:

-572.16

Dipole, Da:

4.4

IP(EA), eV:

 -10.3(-0.27)

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;tetrahydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(C)(C)COS(=O)(=O)CCCS(=O)(=O)O)NC(=O)OC(C)OC(=O)C(C)C

DOS

IR

Vibrations