Geometry & MOs

Info

ID:	314238
PubChem CID:	126620986
Reduced:	SF3O3N6H25C27 (1)
Stoich.:	AB3C3D6E25F27 (1)
Weight, g/mol:	311.01571
ΔH_f, kcal/mol:	-128.5
Dipole, Da:	4.09
IP(EA), eV:	-8.51(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-bromo-5-hydroxyindole-1-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2OC4=C3C=C(C=N4)CN5CCS(=O)CC5)C6=C7C=CNC7=CC(=C6)C(F)(F)F

DOS

IR

Vibrations