Geometry & MOs

Info

ID:

415862

PubChem CID:

135088864

Reduced:

O2N3C22H25 (1)

Stoich.:

A2B3C22D25 (1)

Weight, g/mol:

607.336984

ΔHf, kcal/mol:

-19.14

Dipole, Da:

4.7

IP(EA), eV:

 -9.24(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)C(=O)C5(CC5)CO

DOS

IR

Vibrations