Geometry & MOs

Info

ID:	446882
PubChem CID:	135278450
Reduced:	BrSO5C27H27 (1)
Stoich.:	ABC5D27E27 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-117.57
Dipole, Da:	7.44
IP(EA), eV:	-8.31(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methylidenehex-3-enamide

Drug info:

PubChemData

Smile

CCOC(COC1=CC=C(C=C1)OC2=C(SC3=C2C=CC(=C3)OC)C4=CC=C(C=C4)Br)OCC

DOS

IR

Vibrations