Geometry & MOs

Info

ID:

419697

PubChem CID:

135108712

Reduced:

O2N4H18C21 (1)

Stoich.:

A2B4C18D21 (1)

Weight, g/mol:

598.311498

ΔHf, kcal/mol:

32.97

Dipole, Da:

6.76

IP(EA), eV:

 -9.28(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-ethyl-N-[(10S,18S)-8-methyl-10-(2-methylpropyl)-4,9,12,17-tetraoxo-2-oxa-5,8,11,16-tetrazabicyclo[18.2.2]tetracosa-1(22),20,23-trien-18-yl]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC(=O)C2=CN=C(C=C2)C#N)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations