Geometry & MOs

Info

ID:

417036

PubChem CID:

135091145

Reduced:

O2N3F6H15C16 (1)

Stoich.:

A2B3C6D15E16 (1)

Weight, g/mol:

624.363533

ΔHf, kcal/mol:

-365.84

Dipole, Da:

1.27

IP(EA), eV:

 -9.69(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN=C(N1)CN(CCO)C(=O)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations