Geometry & MOs

Info

ID:	221828
PubChem CID:	85286184
Reduced:	O3C20H26 (2)
Stoich.:	A3B20C26 (2)
Weight, g/mol:	628.369635
ΔH_f, kcal/mol:	-180.51
Dipole, Da:	5.19
IP(EA), eV:	-8.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[tert-butyl(diphenyl)silyl]oxy-6-diazonio-20-ethoxy-20-oxoicosa-6,10,12,15-tetraen-7-olate

Drug info:

PubChemData

Smile

CC1=C(C(=O)CC(C1=CC(=O)C(=CC=CC(=CC=CC=C(C)C=CC=C(CO)C=C=C2C(CC(CC2(C)O)O)(C)C)C)C)(C)C)O

DOS

IR

Vibrations