Geometry & MOs

Info

ID:	385952
PubChem CID:	134980390
Reduced:	NH7C11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	576.403013
ΔH_f, kcal/mol:	135.34
Dipole, Da:	3.05
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (8Z,10E,12S,14Z)-12,20-bis[[tert-butyl(dimethyl)silyl]oxy]icosa-8,10,14-trien-5-ynoate

Drug info:

PubChemData

Smile

C\1=C\C=C\2/C(=C\3/N=C4C(=C/C3=C1)C=CC=C4)/N=C5C(=C2)C=CC=C5

DOS

IR

Vibrations