Geometry & MOs

Info

ID:	32758
PubChem CID:	7848076
Reduced:	N2S2O6C17H20 (1)
Stoich.:	A2B2C6D17E20 (1)
Weight, g/mol:	410.187543
ΔH_f, kcal/mol:	-226.87
Dipole, Da:	10.9
IP(EA), eV:	-9.65(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-methylpentanoate

Drug info:

PubChemData

Smile

C[C@@]1(CCS(=O)(=O)C1)NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

DOS

IR

Vibrations