Geometry & MOs

Info

ID:	223832
PubChem CID:	85335635
Reduced:	ClSF2N2O8C25H29 (1)
Stoich.:	ABC2D2E8F25G29 (1)
Weight, g/mol:	544.124642
ΔH_f, kcal/mol:	-397.33
Dipole, Da:	4.65
IP(EA), eV:	-9.48(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropyl] 4-(2-methoxyacetyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(COC(=O)N1CCN(CC1)C(=O)COC)C(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)O

DOS

IR

Vibrations