Geometry & MOs

Info

ID:

323800

PubChem CID:

126676205

Reduced:

O2N3C15H17 (1)

Stoich.:

A2B3C15D17 (1)

Weight, g/mol:

662.173465

ΔHf, kcal/mol:

-49.05

Dipole, Da:

1.32

IP(EA), eV:

 -8.95(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[[3,5-difluoro-4-[[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]methoxy]anilino]-hydroxymethyl]imino-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=CC(=C(N=C2)N)C(=O)N)CCCO

DOS

IR

Vibrations