Geometry & MOs

Info

ID:

422589

PubChem CID:

135118093

Reduced:

NO4C20H25 (1)

Stoich.:

AB4C20D25 (1)

Weight, g/mol:

647.31798

ΔHf, kcal/mol:

-142.43

Dipole, Da:

6.04

IP(EA), eV:

 -9.09(0.3)

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[1,2-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=C1)CN2CC[C@@H]([C@@](C2)(CC3=CC=CC=C3)C(=O)O)O)C

DOS

IR

Vibrations