Geometry & MOs

Info

ID:

418106

PubChem CID:

135103592

Reduced:

ClN2O4C14H15 (1)

Stoich.:

AB2C4D14E15 (1)

Weight, g/mol:

716.353363

ΔHf, kcal/mol:

-86.87

Dipole, Da:

4.48

IP(EA), eV:

 -9.68(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4S,7R,10S,13R,16S)-4-benzyl-10-[(1R)-1-hydroxyethyl]-13-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.2.2]docosa-1(20),18,21-trien-16-yl]-3-(2-oxopyridin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC=C(O3)Cl

DOS

IR

Vibrations