Geometry & MOs

Info

ID:	83550
PubChem CID:	49857829
Reduced:	OF4N5H21C22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	412.300886
ΔH_f, kcal/mol:	-151.73
Dipole, Da:	2.37
IP(EA), eV:	-8.94(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylidenecyclohexyl]methanol

Drug info:

PubChemData

Smile

C1CN2C(=NC(=C2NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CN1C(=O)CNCC(F)F

DOS

IR

Vibrations