Geometry & MOs

Info

ID:

421733

PubChem CID:

135116513

Reduced:

ON5C15H21 (1)

Stoich.:

AB5C15D21 (1)

Weight, g/mol:

629.317311

ΔHf, kcal/mol:

3.99

Dipole, Da:

4.14

IP(EA), eV:

 -8.81(0.01)

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]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C3=NC(=NC=C3C)C

DOS

IR

Vibrations