Geometry & MOs

Info

ID:

414248

PubChem CID:

135087204

Reduced:

ON2C11H13 (2)

Stoich.:

AB2C11D13 (2)

Weight, g/mol:

706.314869

ΔHf, kcal/mol:

-26.68

Dipole, Da:

5.08

IP(EA), eV:

 -8.37(-0.01)

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]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CCCC1=CC(=NN1)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations