Geometry & MOs

Info

ID:	214728
PubChem CID:	85083491
Reduced:	SO3N4C34H42 (1)
Stoich.:	AB3C4D34E42 (1)
Weight, g/mol:	586.42689
ΔH_f, kcal/mol:	-36.56
Dipole, Da:	4.11
IP(EA), eV:	-7.26(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethylsilyl 12,15-bis(trimethylsilyloxy)docos-13-enoate

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)CC5)CCCOS(=O)(=O)C)C)C)CC)C

DOS

IR

Vibrations