Geometry & MOs

Info

ID:	314290
PubChem CID:	126621160
Reduced:	F3N3O5H20C24 (1)
Stoich.:	A3B3C5D20E24 (1)
Weight, g/mol:	492.066852
ΔH_f, kcal/mol:	-274.59
Dipole, Da:	4.64
IP(EA), eV:	-9.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-fluoro-4-nitrophenyl)-2-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide

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

C1[C@@H]2CN(C[C@H]2CN1C(=O)/C=C/C3=CC=C(C=C3)OC(F)(F)F)C(=O)C4=CC5=C(C=C4)NC(=O)O5

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

C1[C@@H]2CN(C[C@H]2CN1C(=O)/C=C/C3=CC=C(C=C3)OC(F)(F)F)C(=O)C4=CC5=C(C=C4)NC(=O)O5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):