Geometry & MOs

Info

ID:	399394
PubChem CID:	135040019
Reduced:	N2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	234.071451
ΔH_f, kcal/mol:	42.09
Dipole, Da:	6.44
IP(EA), eV:	-8.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-phenyl 2-acetylpent-4-enethioate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(C1=O)/C(=C\OCC#C)/C#N

DOS

IR

Vibrations