Geometry & MOs

Info

ID:	338401
PubChem CID:	127259093
Reduced:	SBr2O2H8C9 (1)
Stoich.:	AB2C2D8E9 (1)
Weight, g/mol:	263.061614
ΔH_f, kcal/mol:	-59.34
Dipole, Da:	2.42
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyl-1H-indol-4-yl)sulfanylmethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCSC1=CC(=CC(=C1)Br)Br

DOS

IR

Vibrations