Geometry & MOs

Info

ID:

421415

PubChem CID:

135115947

Reduced:

ON3C8H11 (2)

Stoich.:

AB3C8D11 (2)

Weight, g/mol:

684.363533

ΔHf, kcal/mol:

-7.91

Dipole, Da:

2.46

IP(EA), eV:

 -9.37(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(8S,12R,15S,18S,20R)-8-[(4-hydroxyphenyl)methyl]-12-methyl-2,7,10,17-tetraoxo-15-propan-2-yl-1,6,9,16-tetrazabicyclo[16.3.0]henicosan-20-yl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C=C(C=N1)N2CCN(CC2)C(=O)CCCN3C=CC=N3

DOS

IR

Vibrations