Geometry & MOs

Info

ID:	231079
PubChem CID:	87572589
Reduced:	FS2O4N10C27H31 (1)
Stoich.:	AB2C4D10E27F31 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-72.74
Dipole, Da:	12.26
IP(EA), eV:	-9.12(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-methyl-1H-indol-1-ium-1-carboxylate;bromide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC2CCC(CC2)NC3=NN4C(=CN=C4C(=C3)NC5CC5)C(=O)NC6=C(C=NC=C6)F

DOS

IR

Vibrations