Geometry & MOs

Info

ID:	62596
PubChem CID:	26725221
Reduced:	FS2N4O4C19H19 (1)
Stoich.:	AB2C4D4E19F19 (1)
Weight, g/mol:	429.102828
ΔH_f, kcal/mol:	-112.92
Dipole, Da:	6.85
IP(EA), eV:	-9.08(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N'-[(3R)-1,1-dioxothiolane-3-carbonyl]piperidine-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations