Geometry & MOs

Info

ID:	433511
PubChem CID:	135173648
Reduced:	BrNOSC9H16 (1)
Stoich.:	ABCDE9F16 (1)
Weight, g/mol:	780.311892
ΔH_f, kcal/mol:	-30.54
Dipole, Da:	1.15
IP(EA), eV:	-8.95(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CN(CCC1CBr)SC2COC2

DOS

IR

Vibrations