Geometry & MOs

Info

ID:	62600
PubChem CID:	26725247
Reduced:	S2N3O6C21H29 (1)
Stoich.:	A2B3C6D21E29 (1)
Weight, g/mol:	333.078327
ΔH_f, kcal/mol:	-231.05
Dipole, Da:	12.42
IP(EA), eV:	-9.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N'-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-1,1-dioxothiolane-3-carbohydrazide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NNC(=O)[C@H]4CCS(=O)(=O)C4

DOS

IR

Vibrations