Geometry & MOs

Info

ID:	391259
PubChem CID:	135003937
Reduced:	NO2S2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	305.98671
ΔH_f, kcal/mol:	-29.37
Dipole, Da:	4.74
IP(EA), eV:	-8.18(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E,3Z)-4-bromo-4-(2,2,2-trifluoroethoxy)buta-1,3-dienyl]benzene

Drug info:

PubChemData

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CC(C)(C)OC#C[C@@H](C1=CC=CS1)N[S@@](=O)C(C)(C)C

DOS

IR

Vibrations