Geometry & MOs

Info

ID:	400050
PubChem CID:	135044842
Reduced:	NC8H11 (1)
Stoich.:	AB8C11 (1)
Weight, g/mol:	286.102751
ΔH_f, kcal/mol:	22.6
Dipole, Da:	3.97
IP(EA), eV:	-9.55(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl (3S)-3-benzylsulfanylbutanoate

Drug info:

PubChemData

Smile

C1CC=C(C1)CCC#N

DOS

IR

Vibrations