Geometry & MOs

Info

ID:	85160
PubChem CID:	49872121
Reduced:	FO6N7C24H24 (1)
Stoich.:	AB6C7D24E24 (1)
Weight, g/mol:	455.242021
ΔH_f, kcal/mol:	-130.96
Dipole, Da:	4.02
IP(EA), eV:	-9.29(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[2-ethyl-4-[5-[2-methoxy-6-(3-methylbutyl)pyridin-4-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol

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

CN(CC#CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NC4CC4)O)O)N)C(=O)OC5=CC=C(C=C5)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

CN(CC#CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NC4CC4)O)O)N)C(=O)OC5=CC=C(C=C5)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):