Geometry & MOs

Info

ID:	218019
PubChem CID:	85088755
Reduced:	NSiO4C24H27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	422.215375
ΔH_f, kcal/mol:	-86.94
Dipole, Da:	3.37
IP(EA), eV:	-9.03(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3-tert-butyl-5-hydroxy-7a-methyl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-7-yl)prop-2-enyl-diphenylsulfanium

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(C2C(C1=O)O2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations