Geometry & MOs

Info

ID:

416954

PubChem CID:

135090900

Reduced:

NOC8H9 (3)

Stoich.:

ABC8D9 (3)

Weight, g/mol:

697.416297

ΔHf, kcal/mol:

-60.07

Dipole, Da:

3.19

IP(EA), eV:

 -9.04(-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]-1-morpholin-4-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=C(C=N2)CN3CC[C@@H]([C@@](C3)(CC4=CC=CC=C4)C(=O)O)O

DOS

IR

Vibrations