Geometry & MOs

Info

ID:

429668

PubChem CID:

135169718

Reduced:

F3N4O6C26H31 (1)

Stoich.:

A3B4C6D26E31 (1)

Weight, g/mol:

483.083762

ΔHf, kcal/mol:

-375.25

Dipole, Da:

2.82

IP(EA), eV:

 -9.52(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[hydroxy-[1-thieno[3,2-c]pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]-2-(triazol-2-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=CN=C(C3=CC=CC=C32)N(C(O)OC(C)(C)C)C(=O)OC(C)(C)C)C(F)(F)F

DOS

IR

Vibrations