Geometry & MOs

Info

ID:	314829
PubChem CID:	126623547
Reduced:	BrSN5O6H20C22 (1)
Stoich.:	ABC5D6E20F22 (1)
Weight, g/mol:	508.06676
ΔH_f, kcal/mol:	-156.09
Dipole, Da:	12.85
IP(EA), eV:	-9.29(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[5-bromo-3-[(4-methoxyphenyl)methylsulfamoyl]indol-1-yl]acetate

Drug info:

PubChemData

Smile

C1C=CCN([C@@H]1C(=O)NC2=NC(=CC=C2)Br)S(=O)(=O)CN3C=C(C4=C3C=CC(=C4)C(=O)O)C(=O)N

DOS

IR

Vibrations