Geometry & MOs

Info

ID:

170895

PubChem CID:

75296109

Reduced:

PO4N7C13H22 (1)

Stoich.:

AB4C7D13E22 (1)

Weight, g/mol:

1371.548464

ΔHf, kcal/mol:

-158.36

Dipole, Da:

6.94

IP(EA), eV:

 -8.62(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,12-diacetyloxy-15-[2-[2-[[6-amino-2-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]ethyl-methylcarbamoyl]oxy-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;dihydrochloride

Drug info:

PubChemData

Smile

C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)CC4CCC(O4)P(=O)(O)O.N

DOS

IR

Vibrations