Geometry & MOs

Info

ID:

424435

PubChem CID:

135122677

Reduced:

ClO7N8C32H43 (1)

Stoich.:

AB7C8D32E43 (1)

Weight, g/mol:

454.013457

ΔHf, kcal/mol:

-261.54

Dipole, Da:

2.04

IP(EA), eV:

 -8.47(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOCCNC(=O)C1CCN(CC1)C2=NC=C(C(=N2)NC3=CC4=C(C=C3)N(C(=O)C(=C4)OCC(=O)NC)C)Cl

DOS

IR

Vibrations