Geometry & MOs

Info

ID:

421339

PubChem CID:

135115800

Reduced:

F2O4N5C34H41 (1)

Stoich.:

A2B4C5D34E41 (1)

Weight, g/mol:

750.406461

ΔHf, kcal/mol:

-248.93

Dipole, Da:

4.75

IP(EA), eV:

 -8.28(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-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]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)CC5=C(C=C(C=C5)F)F)C(C)C

DOS

IR

Vibrations