Geometry & MOs

Info

ID:	306315
PubChem CID:	125003715
Reduced:	ClSF2N2O4C25H29 (1)
Stoich.:	ABC2D2E4F25G29 (1)
Weight, g/mol:	526.150463
ΔH_f, kcal/mol:	-234.85
Dipole, Da:	5.58
IP(EA), eV:	-9.01(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C[C@@]2(CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)F)F)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations