Geometry & MOs

Info

ID:	85700
PubChem CID:	49878340
Reduced:	BrSN4O4C25H33 (1)
Stoich.:	ABC4D4E25F33 (1)
Weight, g/mol:	613.00738
ΔH_f, kcal/mol:	-109.35
Dipole, Da:	6.65
IP(EA), eV:	-8.47(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=C1C(=CC(=C2)Br)S(=O)(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations