Geometry & MOs

Info

ID:	231612
PubChem CID:	87574306
Reduced:	ClSF2O2H7C9 (1)
Stoich.:	ABC2D2E7F9 (1)
Weight, g/mol:	1088.459471
ΔH_f, kcal/mol:	-141.91
Dipole, Da:	4.3
IP(EA), eV:	-10.55(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(3S,4S)-3-(4-chlorophenyl)-4-[(1S)-1-(5-cyanopyridin-2-yl)oxyethyl]piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile;6-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]ethoxy]pyridine-3-carbonitrile

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

C1C(C1S(=O)(=O)Cl)C2=CC(=CC(=C2)F)F

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

C1C(C1S(=O)(=O)Cl)C2=CC(=CC(=C2)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):