Geometry & MOs

Info

ID:

80973

PubChem CID:

49854173

Reduced:

ClSO2F3N3C19H21 (1)

Stoich.:

ABC2D3E3F19G21 (1)

Weight, g/mol:

637.19889

ΔHf, kcal/mol:

-213.63

Dipole, Da:

3.32

IP(EA), eV:

 -9.12(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

phenyl 1-[[(5E)-5-[1-[4-chloro-3-(2,2-dimethylpropoxy)phenyl]propylidene]-1-hydroxy-2-methyl-2-(trifluoromethyl)cyclopentyl]methyl]-5-sulfanylidene-1,2,4-triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C2CCCC2(CN3C(=S)N(C=N3)C(=O)C)O)C(F)(F)F)Cl

DOS

IR

Vibrations