Geometry & MOs

Info

ID:	59063
PubChem CID:	24770696
Reduced:	Si2O7C33H52 (1)
Stoich.:	A2B7C33D52 (1)
Weight, g/mol:	552.190578
ΔH_f, kcal/mol:	-387.14
Dipole, Da:	4.65
IP(EA), eV:	-8.24(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2R,6S)-1-(3,4-difluorophenyl)sulfonyl-6-(3-fluorophenyl)piperidin-2-yl]cyclopropyl] 4-(hydroxymethyl)piperidine-1-carboxylate

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)(C)[Si](C)(C)OC1=C(C=C(C=C1)C[C@@H]2[C@@H](C[C@H](O2)CC(=O)C3=CC(=C(C=C3)O[Si](C)(C)C(C)(C)C)OC)O)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)(C)[Si](C)(C)OC1=C(C=C(C=C1)C[C@@H]2[C@@H](C[C@H](O2)CC(=O)C3=CC(=C(C=C3)O[Si](C)(C)C(C)(C)C)OC)O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):