Geometry & MOs

Info

ID:	16373
PubChem CID:	466047
Reduced:	ClF2N2O2H10C12 (2)
Stoich.:	AB2C2D2E10F12 (2)
Weight, g/mol:	574.079773
ΔH_f, kcal/mol:	-267.19
Dipole, Da:	4.96
IP(EA), eV:	-9.96(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6R)-6-(2,4-dichlorophenyl)-5-methyl-4-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-6-(1,2,4-triazol-1-ylmethyl)morpholin-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]1[C@](OC(=O)CN1C(=O)C2=CC=C(C=C2)OCC(C(F)F)(F)F)(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl

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@](OC(=O)CN1C(=O)C2=CC=C(C=C2)OCC(C(F)F)(F)F)(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):