Geometry & MOs

Info

ID:	411080
PubChem CID:	135083890
Reduced:	ClSN2C6H13 (1)
Stoich.:	ABC2D6E13 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-34.81
Dipole, Da:	2.49
IP(EA), eV:	-9.42(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(5-ethyloxolan-2-ylidene)-1-phenylethanone

Drug info:

PubChemData

Smile

C1CCC(C1)SC(=N)N.Cl

DOS

IR

Vibrations