Geometry & MOs

Info

ID:	390882
PubChem CID:	135001429
Reduced:	BF3N5C28H45 (1)
Stoich.:	AB3C5D28E45 (1)
Weight, g/mol:	208.055801
ΔH_f, kcal/mol:	-166.11
Dipole, Da:	6.51
IP(EA), eV:	-8.11(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1Z,3E)-4-methylsulfonylbuta-1,3-dienyl]benzene

Drug info:

PubChemData

Smile

B1(N(CCN1N(C(C)C)C(C)C)N(C(C)C)C(C)C)/C(=C(\C#N)/C2=CC=C(C=C2)C(F)(F)F)/CCCC

DOS

IR

Vibrations