Geometry & MOs

Info

ID:

420612

PubChem CID:

135114332

Reduced:

FSO5N6C30H33 (1)

Stoich.:

ABC5D6E30F33 (1)

Weight, g/mol:

724.354425

ΔHf, kcal/mol:

-109.42

Dipole, Da:

8.12

IP(EA), eV:

 -8.89(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,6S,9R,12S,18S,20R)-9-benzyl-20-hydroxy-3-methyl-6-(2-methylpropyl)-2,5,8,11,17-pentaoxo-1,4,7,10,16-pentazabicyclo[16.3.0]henicosan-12-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=NN=C1SC2=CC=C(O2)CN3CCCC(=O)NCC4=C(C=CC=C4F)OC5=C(C=C(C=C5)C(=O)NCCC3)OC

DOS

IR

Vibrations