Geometry & MOs

Info

ID:	46856
PubChem CID:	10527915
Reduced:	O3N7C24H25 (1)
Stoich.:	A3B7C24D25 (1)
Weight, g/mol:	460.15481
ΔH_f, kcal/mol:	17.41
Dipole, Da:	6.0
IP(EA), eV:	-8.3(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyl-2-phenylselanylbutanoate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=NN4C5=CC=CC=C5)N)OC

DOS

IR

Vibrations