Geometry & MOs

Info

ID:

420564

PubChem CID:

135113955

Reduced:

N2O5C18H24 (1)

Stoich.:

A2B5C18D24 (1)

Weight, g/mol:

607.348218

ΔHf, kcal/mol:

-82.29

Dipole, Da:

4.8

IP(EA), eV:

 -9.17(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-3-methyl-7-(5-methyl-1-propylpyrazole-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

CC1=CC=CC=C1OCC(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O

DOS

IR

Vibrations