Geometry & MOs

Info

ID:	62602
PubChem CID:	26725249
Reduced:	SN3O4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	457.134128
ΔH_f, kcal/mol:	-78.68
Dipole, Da:	4.81
IP(EA), eV:	-9.62(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)sulfonyl-N'-[(3S)-1,1-dioxothiolane-3-carbonyl]piperidine-4-carbohydrazide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1C(=O)NNC(=O)/C=C/C2=CC=C(C=C2)C#N

DOS

IR

Vibrations