Geometry & MOs

Info

ID:	62601
PubChem CID:	26725248
Reduced:	SN3O4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	333.078327
ΔH_f, kcal/mol:	-81.38
Dipole, Da:	4.74
IP(EA), eV:	-9.99(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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