Geometry & MOs

Info

ID:	408538
PubChem CID:	135081304
Reduced:	OSC27H28 (1)
Stoich.:	ABC27D28 (1)
Weight, g/mol:	152.013592
ΔH_f, kcal/mol:	72.02
Dipole, Da:	3.43
IP(EA), eV:	-7.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC(=O)[C@H]1CCC=C[C@H]1S(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations