Geometry & MOs

Info

ID:	46218
PubChem CID:	10523310
Reduced:	O2C7H8 (3)
Stoich.:	A2B7C8 (3)
Weight, g/mol:	372.137086
ΔH_f, kcal/mol:	-240.4
Dipole, Da:	7.53
IP(EA), eV:	-9.27(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-(trifluoromethyl)dodec-2-en-4-yn-2-yl]sulfonylbenzene

Drug info:

PubChemData

Smile

CC1CC(=O)C=C(O1)C2=CC3=C(C(=C(C(=C3[C@@H](C)[C@@H](C)O)C)O)C)OC2=O

DOS

IR

Vibrations