Geometry & MOs

Info

ID:	42407
PubChem CID:	8149522
Reduced:	ON3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	325.122203
ΔH_f, kcal/mol:	-9.76
Dipole, Da:	5.1
IP(EA), eV:	-7.6(0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)CC1=CC=CC=C1)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations