Geometry & MOs

Info

ID:

421919

PubChem CID:

135116844

Reduced:

ClSO6N7C35H42 (1)

Stoich.:

ABC6D7E35F42 (1)

Weight, g/mol:

579.316917

ΔHf, kcal/mol:

-206.18

Dipole, Da:

10.05

IP(EA), eV:

 -8.99(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-3-methyl-12-propan-2-yl-7-(3-pyrazol-1-ylpropanoyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4Cl)C)C)C(C)C

DOS

IR

Vibrations