Geometry & MOs

Info

ID:	408367
PubChem CID:	135081133
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	219.071785
ΔH_f, kcal/mol:	-123.99
Dipole, Da:	7.8
IP(EA), eV:	-10.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-ethoxy-3-methylsulfanyl-2-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H]2CC(=O)OC2C3=CC(=O)C[C@@H]13

DOS

IR

Vibrations