Geometry & MOs

Info

ID:	230294
PubChem CID:	87570600
Reduced:	NO3F6C22H23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	458.077028
ΔH_f, kcal/mol:	-421.24
Dipole, Da:	4.75
IP(EA), eV:	-9.77(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-3-ethyl-4-[[4-[2-fluoro-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)methyl]phenoxy]phenyl]methylidene]-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

CC(C)(C[C@@H](C(=O)O)N[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)[C@H](C(F)F)O)C(F)(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

CC(C)(C[C@@H](C(=O)O)N[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)[C@H](C(F)F)O)C(F)(F)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):