Geometry & MOs

Info

ID:	59075
PubChem CID:	24770770
Reduced:	SO6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	617.180741
ΔH_f, kcal/mol:	-218.83
Dipole, Da:	5.13
IP(EA), eV:	-8.84(-0.55)
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-(furan-2-carbonyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CCOCC2=CC=C(C=C2)OC)O

DOS

IR

Vibrations