Geometry & MOs

Info

ID:

308377

PubChem CID:

125326647

Reduced:

SN3O4C17H21 (1)

Stoich.:

AB3C4D17E21 (1)

Weight, g/mol:

564.273656

ΔHf, kcal/mol:

-135.94

Dipole, Da:

3.89

IP(EA), eV:

 -8.63(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,11S)-N-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-9-oxo-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-3,5,7,13,15,17,19-heptaene-11-carboxamide

Drug info:

PubChemData

Smile

CCCC[C@H]1C(=O)NC(=NC1=O)SCC(=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations