Geometry & MOs

Info

ID:

422578

PubChem CID:

135118070

Reduced:

N2O2C9H12 (2)

Stoich.:

A2B2C9D12 (2)

Weight, g/mol:

716.32821

ΔHf, kcal/mol:

-125.07

Dipole, Da:

3.84

IP(EA), eV:

 -9.54(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R,4S,7S,9R,13S,16S,19R)-13-benzyl-16-[(1R)-1-hydroxyethyl]-4-methyl-3,6,12,15,18-pentaoxo-2,5,11,14,17-pentazatricyclo[17.3.0.07,11]docosan-9-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)CCC3=C(NC(=O)N=C3C)C

DOS

IR

Vibrations