Geometry & MOs

Info

ID:	430350
PubChem CID:	135170414
Reduced:	SN3F6O6C23H23 (1)
Stoich.:	AB3C6D6E23F23 (1)
Weight, g/mol:	580.110277
ΔH_f, kcal/mol:	-519.13
Dipole, Da:	9.82
IP(EA), eV:	-9.58(-1.15)
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-(1-methoxycyclopropanecarbonyl)-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

CCC(C(=O)N1CC2=C([C@H]1C(=O)NC3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)C=CC(=C2)S(=O)(=O)NC)O

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

CCC(C(=O)N1CC2=C([C@H]1C(=O)NC3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)C=CC(=C2)S(=O)(=O)NC)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):