Geometry & MOs

Info

ID:	398899
PubChem CID:	135036139
Reduced:	NOSC23H23 (1)
Stoich.:	ABCD23E23 (1)
Weight, g/mol:	462.248244
ΔH_f, kcal/mol:	18.83
Dipole, Da:	3.32
IP(EA), eV:	-8.71(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]imidazole-4,5-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(CSCC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations