Geometry & MOs

Info

ID:	328041
PubChem CID:	126691820
Reduced:	N3O3F6H27C29 (1)
Stoich.:	A3B3C6D27E29 (1)
Weight, g/mol:	539.314792
ΔH_f, kcal/mol:	-374.78
Dipole, Da:	7.79
IP(EA), eV:	-8.73(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(azetidin-1-yl)-3-(5-cyclohexyl-2-methoxyphenyl)pyridin-2-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one

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

CCC1=CC(=C(C=C1)O)C2=C(N=C(C=C2)N3CCC3)CN4C([C@H](OC4=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C

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

CCC1=CC(=C(C=C1)O)C2=C(N=C(C=C2)N3CCC3)CN4C([C@H](OC4=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):