Geometry & MOs

Info

ID:	48320
PubChem CID:	10538880
Reduced:	O2C7H11 (2)
Stoich.:	A2B7C11 (2)
Weight, g/mol:	254.076536
ΔH_f, kcal/mol:	-200.22
Dipole, Da:	7.66
IP(EA), eV:	-10.88(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-phenyl-2-phenylsulfanylbut-2-enal

Drug info:

PubChemData

Smile

CCCCCCCC[C@@H]1[C@H]2CC(=O)O[C@H]2C(=O)O1

DOS

IR

Vibrations