Geometry & MOs

Info

ID:	391283
PubChem CID:	135004113
Reduced:	SN2O4H22C25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	369.04793
ΔH_f, kcal/mol:	-54.92
Dipole, Da:	5.81
IP(EA), eV:	-9.89(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-2-(2-phenylselenonylethyl)pent-4-enoate

Drug info:

PubChemData

Smile

C1CN(C(C2=CC=CC=C21)(CCS(=O)(=O)C3=CC=CC=C3)C#N)C(=O)OC4=CC=CC=C4

DOS

IR

Vibrations