Geometry & MOs

Info

ID:	437292
PubChem CID:	135221813
Reduced:	SO2N5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	265.092521
ΔH_f, kcal/mol:	21.38
Dipole, Da:	4.63
IP(EA), eV:	-8.6(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-diphenylprop-2-enylsulfanyl)acetonitrile

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C2CC2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)NC(=O)CC5

DOS

IR

Vibrations