Geometry & MOs

Info

ID:	392520
PubChem CID:	135017020
Reduced:	BrN3O7C19H20 (1)
Stoich.:	AB3C7D19E20 (1)
Weight, g/mol:	369.251933
ΔH_f, kcal/mol:	-231.25
Dipole, Da:	4.12
IP(EA), eV:	-9.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[(2R,3S)-3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]aziridin-2-yl]methoxy]-dimethylsilane

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1C(C([C@@H](O1)N2C(=C(N=N2)C3=CC=CC=C3)Br)OC(=O)C)OC(=O)C

DOS

IR

Vibrations