Geometry & MOs

Info

ID:	176307
PubChem CID:	76031843
Reduced:	BrSeN4O5H31C38 (1)
Stoich.:	ABC4D5E31F38 (1)
Weight, g/mol:	456.272728
ΔH_f, kcal/mol:	110.74
Dipole, Da:	12.04
IP(EA), eV:	-8.72(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-7-yn-4-yloxy]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(CC[Se]C3=CC=CC=C3)C(=O)C(=CC4=CC=C(C=C4)Br)C5=CC=CC=C5

DOS

IR

Vibrations