Geometry & MOs

Info

ID:

429732

PubChem CID:

135169783

Reduced:

ClSO2F3N6H16C22 (1)

Stoich.:

ABC2D3E6F16G22 (1)

Weight, g/mol:

541.135319

ΔHf, kcal/mol:

-94.36

Dipole, Da:

4.34

IP(EA), eV:

 -8.36(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-3-[1-(azetidin-3-yl)isoquinolin-4-yl]imino-N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-4,4,4-trifluorobutanamide

Drug info:

PubChemData

Smile

C1CN(S(=O)C1)C2=C(C=C(C=N2)NC(=O)C3=C(N(N=C3)C4=CN=CC5=CC=CC=C54)C(F)(F)F)Cl

DOS

IR

Vibrations