Geometry & MOs

Info

ID:	242872
PubChem CID:	99213520
Reduced:	SN3O4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	374.163043
ΔH_f, kcal/mol:	-64.19
Dipole, Da:	6.12
IP(EA), eV:	-9.0(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[4-(cyanomethoxy)phenyl]-N-ethylprop-2-enamide

Drug info:

PubChemData

Smile

CCN([C@H](C)C1=CC2=CC=CC=C2O1)C(=O)CN(C)C3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations