Geometry & MOs

Info

ID:	195327
PubChem CID:	78673015
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	333.136493
ΔH_f, kcal/mol:	-48.79
Dipole, Da:	3.17
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-propylphenyl)ethyl] 3-(4-cyanophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C(C)C3=CC=CC=C3

DOS

IR

Vibrations