Geometry & MOs

Info

ID:	447784
PubChem CID:	135285735
Reduced:	BrNSO4C12H14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	505.168285
ΔH_f, kcal/mol:	-132.31
Dipole, Da:	4.98
IP(EA), eV:	-10.18(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[4-[(3-amino-3-oxopropyl)sulfamoyl]-3-(methoxymethyl)phenyl]-6-fluoroindole-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CC(C1)NS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations