Geometry & MOs

Info

ID:	168038
PubChem CID:	74914914
Reduced:	FNO4H24C27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	462.215472
ΔH_f, kcal/mol:	-118.43
Dipole, Da:	2.92
IP(EA), eV:	-8.81(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-methoxy-3-(2-methoxyphenyl)-1-benzofuran-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C=C(C)C2=C(C=C3C(=C2)C(=CO3)C4=CC(=CC=C4)OC)OC)F

DOS

IR

Vibrations