Geometry & MOs

Info

ID:	308160
PubChem CID:	125317207
Reduced:	ClSO2N3C6H6 (1)
Stoich.:	ABC2D3E6F6 (1)
Weight, g/mol:	281.00514
ΔH_f, kcal/mol:	-60.02
Dipole, Da:	5.32
IP(EA), eV:	-9.16(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-5-bromo-2-methyl-2H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)NC(=S)N=C1NC(=O)CCl

DOS

IR

Vibrations