Geometry & MOs

Info

ID:	133778
PubChem CID:	51588555
Reduced:	OSN2F4C11H13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	337.18758
ΔH_f, kcal/mol:	-202.04
Dipole, Da:	5.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.036648
Charge, e:	1

Chem-info

IUPAC name:

N'-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(4-methylpiperazin-4-ium-1-yl)acetohydrazide

Drug info:

PubChemData

Smile

C1CN[C@@]([NH2+]1)(CC(=O)C2=CC=CS2)C(C(F)F)(F)F

DOS

IR

Vibrations