Geometry & MOs

Info

ID:	200036
PubChem CID:	79335839
Reduced:	BrNSO3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	314.0266
ΔH_f, kcal/mol:	-71.28
Dipole, Da:	3.16
IP(EA), eV:	-9.45(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-hydroxy-6-[2-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

C1=C2C(=CC(=C1Br)SCCO)NC(=O)C2=O

DOS

IR

Vibrations