Geometry & MOs

Info

ID:	395562
PubChem CID:	135025830
Reduced:	BrON3H12C19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	445.102462
ΔH_f, kcal/mol:	95.01
Dipole, Da:	4.38
IP(EA), eV:	-8.81(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(1R)-1-[[(R)-tert-butylsulfinyl]amino]ethyl]-2-trimethylsilylphenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2C3=NC=CC=N3)C(=O)C4=CC=CC=C4Br

DOS

IR

Vibrations