Geometry & MOs

Info

ID:	166328
PubChem CID:	74671134
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-28.34
Dipole, Da:	4.06
IP(EA), eV:	-8.53(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(oxolan-2-ylmethyl)-3-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)N2C(=O)C3C=CC=CC3=NC2=S)OC

DOS

IR

Vibrations