Geometry & MOs

Info

ID:	430347
PubChem CID:	135170411
Reduced:	O3C22H24 (1)
Stoich.:	A3B22C24 (1)
Weight, g/mol:	568.110277
ΔH_f, kcal/mol:	-46.94
Dipole, Da:	2.19
IP(EA), eV:	-8.51(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(2-hydroxybutanoyl)-5-methylsulfonyl-1,3-dihydroisoindole-1-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

CC[C@@H]1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=C)C(C3=O)C4=C(C=C(C=C4)C#CC)OC

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@@H]1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=C)C(C3=O)C4=C(C=C(C=C4)C#CC)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):