Geometry & MOs

Info

ID:

429961

PubChem CID:

135170016

Reduced:

ClFIOSN4H15C21 (1)

Stoich.:

ABCDEF4G15H21 (1)

Weight, g/mol:

530.1014

ΔHf, kcal/mol:

45.09

Dipole, Da:

2.94

IP(EA), eV:

 -9.28(-2.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-(1-methylsulfanylisoquinolin-4-yl)imino-N-[5-phosphanyl-6-(triazol-2-yl)pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CN(CC=C)C(=O)C1=CC2=C(N=C1)N(C=C2C3=CC4=C(C=CN=C4C(=C3)F)Cl)SI

DOS

IR

Vibrations