Geometry & MOs

Info

ID:	121978
PubChem CID:	50788644
Reduced:	ClSN3O4C18H26 (1)
Stoich.:	ABC3D4E18F26 (1)
Weight, g/mol:	401.04088
ΔH_f, kcal/mol:	-147.85
Dipole, Da:	8.85
IP(EA), eV:	-9.22(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-cyclopropyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N(CC(=O)N2CCNCC2)C3CCCC3

DOS

IR

Vibrations