Geometry & MOs

Info

ID:	162326
PubChem CID:	57394312
Reduced:	OF2N5H29C31 (1)
Stoich.:	AB2C5D29E31 (1)
Weight, g/mol:	371.136887
ΔH_f, kcal/mol:	-10.94
Dipole, Da:	7.02
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-oxo-3H-2-benzofuran-5-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(N3C1=N[C@@H](C3)C(C)C)N(C(=N2)C4=CC=C(C=C4)C5=CC=CC=C5)CC6=CC(=C(C=C6)F)F

DOS

IR

Vibrations