Geometry & MOs

Info

ID:	328134
PubChem CID:	126692196
Reduced:	F2N3O5C32H35 (1)
Stoich.:	A2B3C5D32E35 (1)
Weight, g/mol:	730.222604
ΔH_f, kcal/mol:	-237.75
Dipole, Da:	6.0
IP(EA), eV:	-8.37(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-[[(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic 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[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C(C)(C)CC(=O)OC)OC)C5=CC(=CC(=C5)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

CC1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C(C)(C)CC(=O)OC)OC)C5=CC(=CC(=C5)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):