Geometry & MOs

Info

ID:

125796

PubChem CID:

50938819

Reduced:

O7N8C32H48 (1)

Stoich.:

A7B8C32D48 (1)

Weight, g/mol:

790.231971

ΔHf, kcal/mol:

-283.13

Dipole, Da:

3.49

IP(EA), eV:

 -9.13(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,11S,14S)-14-amino-N-[(2S,4R)-5-amino-1-(2-aminoethylamino)-4-hydroxy-1-oxopentan-2-yl]-11-[(2R)-3-amino-2-hydroxypropyl]-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

C1[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC2=C(C=CC(=C2)C3=CC1=C(C=C3)O)O)C(=O)NCCC[C@@H](C(=O)N[C@@H](CCN)CO)N)CCCN)N

DOS

IR

Vibrations