Geometry & MOs

Info

ID:	218511
PubChem CID:	85089552
Reduced:	SiO2C30H54 (1)
Stoich.:	AB2C30D54 (1)
Weight, g/mol:	474.144531
ΔH_f, kcal/mol:	-185.28
Dipole, Da:	2.67
IP(EA), eV:	-8.71(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-chloro-3-(3,5-dimethylhepta-1,3-dienyl)-7-methyl-6,8-dioxoisochromen-7-yl]oxy-3-methyl-5-oxopent-3-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(CC(CC=C)O[Si](C)(C)C(C)(C)C)OCC1=CC=CC=C1

DOS

IR

Vibrations