Geometry & MOs

Info

ID:	222045
PubChem CID:	85293595
Reduced:	NF3O5C26H30 (1)
Stoich.:	AB3C5D26E30 (1)
Weight, g/mol:	494.252222
ΔH_f, kcal/mol:	-329.52
Dipole, Da:	6.33
IP(EA), eV:	-9.35(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[6-[4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2-methylpropyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2C(O2)C(CC3=CC=CC=C3)COC(=O)C(F)(F)F

DOS

IR

Vibrations