Geometry & MOs

Info

ID:	328003
PubChem CID:	126691685
Reduced:	F2N3O5C33H37 (1)
Stoich.:	A2B3C5D33E37 (1)
Weight, g/mol:	591.254478
ΔH_f, kcal/mol:	-247.91
Dipole, Da:	6.76
IP(EA), eV:	-8.83(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-(3,5-difluorophenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate

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]1[C@H](OC(N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CCC(CC5)C(=O)O)OC)O)C6=CC(=CC(=C6)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]1[C@H](OC(N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CCC(CC5)C(=O)O)OC)O)C6=CC(=CC(=C6)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):