Geometry & MOs

Info

ID:	312571
PubChem CID:	126606540
Reduced:	SN2O4C10H18 (1)
Stoich.:	AB2C4D10E18 (1)
Weight, g/mol:	574.290609
ΔH_f, kcal/mol:	-163.35
Dipole, Da:	3.66
IP(EA), eV:	-9.35(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3-dimethyl-3-[2-oxo-3-[2-(trifluoromethyl)phenyl]chromen-7-yl]oxybutan-2-yl] 2-tert-butyl-4,4-dimethylpentanoate

Drug info:

PubChemData

Smile

CCNC1=N[C@H]2[C@@H](S1)OC([C@H](C2O)O)COC

DOS

IR

Vibrations