Geometry & MOs

Info

ID:	328098
PubChem CID:	126692050
Reduced:	N4O5F6C34H34 (1)
Stoich.:	A4B5C6D34E34 (1)
Weight, g/mol:	645.217459
ΔH_f, kcal/mol:	-452.7
Dipole, Da:	7.99
IP(EA), eV:	-8.87(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(azetidin-1-yl)-3-[5-(1H-imidazol-2-ylmethyl)-2-methoxyphenyl]pyridin-2-yl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-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

C[C@H]1C(OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)C4CCC(CC4)C(=O)O)OC)N5CCC5)C6=CC(=CC(=C6)C(F)(F)F)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

C[C@H]1C(OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)C4CCC(CC4)C(=O)O)OC)N5CCC5)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):