Geometry & MOs

Info

ID:	168065
PubChem CID:	74919803
Reduced:	SN2O5H24C26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	422.103335
ΔH_f, kcal/mol:	-105.89
Dipole, Da:	6.61
IP(EA), eV:	-8.86(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-chlorophenyl)-6-methoxy-7-methyl-1-benzofuran-5-yl]-N-(1,2-oxazol-3-yl)but-2-enamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1OC)C(=CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C)C(=CO2)C4=CC=CC=C4

DOS

IR

Vibrations