Geometry & MOs

Info

ID:	445267
PubChem CID:	135265659
Reduced:	SF5O5N6C27H37 (1)
Stoich.:	AB5C5D6E27F37 (1)
Weight, g/mol:	579.228218
ΔH_f, kcal/mol:	-357.95
Dipole, Da:	5.05
IP(EA), eV:	-6.86(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[5-chloro-6-[5-propan-2-yloxy-1-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]-1,2,4-triazol-3-yl]pyridin-3-yl]-4-methylpyridin-2-yl]oxy-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=NC=C1C2=CN=C(N=C2)/C(=N/C(=N/COCCS(C)(C)C)/OCC(C(F)(F)F)(F)F)/N)OCC(C)(C)C(=O)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=NC=C1C2=CN=C(N=C2)/C(=N/C(=N/COCCS(C)(C)C)/OCC(C(F)(F)F)(F)F)/N)OCC(C)(C)C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):