Geometry & MOs

Info

ID:	59164
PubChem CID:	24775653
Reduced:	NSO2F7H20C24 (1)
Stoich.:	ABC2D7E20F24 (1)
Weight, g/mol:	597.136175
ΔH_f, kcal/mol:	-382.38
Dipole, Da:	3.08
IP(EA), eV:	-9.14(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1,1,1-trifluoro-3-[(2R)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol

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

C1CC2=C(C=CC=C2N(C1C3=CC(=CC=C3)OC(C(F)F)(F)F)CC(C(F)(F)F)O)C4=CC=CS4

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

C1CC2=C(C=CC=C2N(C1C3=CC(=CC=C3)OC(C(F)F)(F)F)CC(C(F)(F)F)O)C4=CC=CS4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):