Geometry & MOs

Info

ID:	230166
PubChem CID:	87570342
Reduced:	ClOSN6C27H37 (1)
Stoich.:	ABCD6E27F37 (1)
Weight, g/mol:	387.158988
ΔH_f, kcal/mol:	13.68
Dipole, Da:	3.7
IP(EA), eV:	-8.83(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile

Drug info:

PubChemData

Smile

CCN/C(=C\C#N)/N(CC1=CSC=C1)C2CCN(CC2)C(C)CCNC(=O)C3=C(N=C(C=C3C)Cl)C

DOS

IR

Vibrations