Geometry & MOs

Info

ID:

420173

PubChem CID:

135111652

Reduced:

N3O3C20H23 (1)

Stoich.:

A3B3C20D23 (1)

Weight, g/mol:

601.347549

ΔHf, kcal/mol:

-100.16

Dipole, Da:

9.8

IP(EA), eV:

 -9.39(-1.06)

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]-2-methoxyacetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C(=O)N2)C(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations