Geometry & MOs

Info

ID:

423957

PubChem CID:

135120878

Reduced:

N2O3C19H30 (1)

Stoich.:

A2B3C19D30 (1)

Weight, g/mol:

649.33363

ΔHf, kcal/mol:

-125.17

Dipole, Da:

5.66

IP(EA), eV:

 -8.64(0.12)

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]-1-methylimidazo[1,2-b]pyrazole-7-carboxamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CN(C)C(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations