Geometry & MOs

Info

ID:	177955
PubChem CID:	76258289
Reduced:	SO2N4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	427.189592
ΔH_f, kcal/mol:	-2.0
Dipole, Da:	6.46
IP(EA), eV:	-8.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=CC(=O)NC(C)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations