Geometry & MOs

Info

ID:	42431
PubChem CID:	8149549
Reduced:	ON3C24H35 (1)
Stoich.:	AB3C24D35 (1)
Weight, g/mol:	418.180053
ΔH_f, kcal/mol:	-67.8
Dipole, Da:	3.62
IP(EA), eV:	-7.73(0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)NC4=CC=C(C=C4)N5CCCCC5

DOS

IR

Vibrations