Geometry & MOs

Info

ID:	133188
PubChem CID:	51489121
Reduced:	S2O3N5C17H23 (1)
Stoich.:	A2B3C5D17E23 (1)
Weight, g/mol:	451.05653
ΔH_f, kcal/mol:	-51.07
Dipole, Da:	3.57
IP(EA), eV:	-8.73(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-bromo-4-methylanilino)ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)SC2=NN=C(N2N)C3=CC=CS3

DOS

IR

Vibrations