Geometry & MOs

Info

ID:

423761

PubChem CID:

135120168

Reduced:

NOC7H7 (3)

Stoich.:

ABC7D7 (3)

Weight, g/mol:

642.316583

ΔHf, kcal/mol:

-39.08

Dipole, Da:

5.5

IP(EA), eV:

 -9.41(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations