Geometry & MOs

Info

ID:	312541
PubChem CID:	126606344
Reduced:	P3O8S8C31H65 (1)
Stoich.:	A3B8C8D31E65 (1)
Weight, g/mol:	562.365825
ΔH_f, kcal/mol:	-691.34
Dipole, Da:	2.27
IP(EA), eV:	-9.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-dimethyl-4-[2-oxo-3-(2,4,6-trimethylphenyl)chromen-7-yl]oxypentan-2-yl] 2-tert-butyl-4,4-dimethylpentanoate

Drug info:

PubChemData

Smile

CCCCC(CC)COP(=S)(OCC(CC)CCCC)SCC(C)OP(=S)(OC(C)CS)SCC(C)OP(=S)(OC(C)CS)SCCC(=O)O

DOS

IR

Vibrations