Geometry & MOs

Info

ID:	85193
PubChem CID:	49872259
Reduced:	SN2O3F4C30H32 (1)
Stoich.:	AB2C3D4E30F32 (1)
Weight, g/mol:	510.247835
ΔH_f, kcal/mol:	-285.82
Dipole, Da:	0.99
IP(EA), eV:	-8.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-[4-[3-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-5-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

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

CC1CCN(CC1)C(C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C(CS(=O)(=O)C)C(=O)N)C4=CC=C(C=C4)C(F)(F)F

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

CC1CCN(CC1)C(C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C(CS(=O)(=O)C)C(=O)N)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):