Geometry & MOs

Info

ID:	56464
PubChem CID:	17435730
Reduced:	OSN4H16C19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	388.04226
ΔH_f, kcal/mol:	98.32
Dipole, Da:	5.51
IP(EA), eV:	-8.58(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromofuran-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

DOS

IR

Vibrations