Geometry & MOs

Info

ID:	85704
PubChem CID:	49878383
Reduced:	F3O3N4H19C21 (1)
Stoich.:	A3B3C4D19E21 (1)
Weight, g/mol:	712.0758
ΔH_f, kcal/mol:	-175.63
Dipole, Da:	4.04
IP(EA), eV:	-9.17(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC5=C(C=C4)OCO5)C(F)(F)F

DOS

IR

Vibrations