Geometry & MOs

Info

ID:	121973
PubChem CID:	50788580
Reduced:	ClSN3O5C18H26 (1)
Stoich.:	ABC3D5E18F26 (1)
Weight, g/mol:	450.230077
ΔH_f, kcal/mol:	-189.6
Dipole, Da:	4.18
IP(EA), eV:	-9.06(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N(CC2CCCO2)CC(=O)N3CCNCC3

DOS

IR

Vibrations