Geometry & MOs

Info

ID:	229286
PubChem CID:	87567331
Reduced:	ON3F6C26H37 (1)
Stoich.:	AB3C6D26E37 (1)
Weight, g/mol:	653.105526
ΔH_f, kcal/mol:	-383.38
Dipole, Da:	7.63
IP(EA), eV:	-8.8(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-benzyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

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@@H]1C[C@@H](CC[C@@H]1N2CCC(C2=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N(C)C(C)C

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@@H]1C[C@@H](CC[C@@H]1N2CCC(C2=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N(C)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):