Geometry & MOs

Info

ID:	406708
PubChem CID:	135078434
Reduced:	NSO2Si2C31H45 (1)
Stoich.:	ABC2D2E31F45 (1)
Weight, g/mol:	371.020397
ΔH_f, kcal/mol:	-38.28
Dipole, Da:	5.77
IP(EA), eV:	-8.29(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2,3,3,4,4-hexafluorobutoxy)-2-nitro-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC[C@H](C#C[Si](C)(C)C)N(CC#C)[S@](=O)C(C)(C)C

DOS

IR

Vibrations