Geometry & MOs

Info

ID:	150202
PubChem CID:	53789889
Reduced:	NOSC7H9 (1)
Stoich.:	ABCD7E9 (1)
Weight, g/mol:	470.412381
ΔH_f, kcal/mol:	2.65
Dipole, Da:	4.37
IP(EA), eV:	-8.66(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl hexacos-2-enoate

Drug info:

PubChemData

Smile

CC(=S)N(C)C1=CC=CO1

DOS

IR

Vibrations