Geometry & MOs

Info

ID:	312542
PubChem CID:	126606366
Reduced:	O5C36H50 (1)
Stoich.:	A5B36C50 (1)
Weight, g/mol:	576.381475
ΔH_f, kcal/mol:	-267.09
Dipole, Da:	6.65
IP(EA), eV:	-8.81(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(2,6-diethylphenyl)-2-oxochromen-7-yl]oxy-2,4-dimethylpentan-2-yl] 2-tert-butyl-4,4-dimethylpentanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=CC3=C(C=C(C=C3)OC(C)(C)CC(C)(C)OC(=O)C(CC(C)(C)C)C(C)(C)C)OC2=O)C

DOS

IR

Vibrations