Geometry & MOs

Info

ID:

427560

PubChem CID:

135159875

Reduced:

FOS2N7H24C25 (1)

Stoich.:

ABC2D7E24F25 (1)

Weight, g/mol:

540.12431

ΔHf, kcal/mol:

100.8

Dipole, Da:

4.33

IP(EA), eV:

 -8.85(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfanyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-(1,3-oxazol-2-yl)methanone

Drug info:

PubChemData

Smile

CCCN1N=CC(=N1)SN2CCC3=CC4=C(CC3(C2)C(=O)C5=NC=CS5)C=NN4C6=CC=C(C=C6)F

DOS

IR

Vibrations