Geometry & MOs

Info

ID:

423932

PubChem CID:

135120797

Reduced:

N2O3C21H28 (1)

Stoich.:

A2B3C21D28 (1)

Weight, g/mol:

652.279152

ΔHf, kcal/mol:

-85.24

Dipole, Da:

0.62

IP(EA), eV:

 -8.38(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1OCCN2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations