Geometry & MOs

Info

ID:	381177
PubChem CID:	134971830
Reduced:	NO2C6H6 (4)
Stoich.:	AB2C6D6 (4)
Weight, g/mol:	361.182168
ΔH_f, kcal/mol:	-219.59
Dipole, Da:	2.47
IP(EA), eV:	-9.58(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1(N([C@@H](CO1)C2=NC(=CO2)C(=O)NC(=C)C3=NC(=CO3)C(=O)OC)C(=O)OCC4=CC=CC=C4)C

DOS

IR

Vibrations