Geometry & MOs

Info

ID:	401102
PubChem CID:	135050121
Reduced:	LiN3C16H34 (1)
Stoich.:	AB3C16D34 (1)
Weight, g/mol:	360.067629
ΔH_f, kcal/mol:	-48.72
Dipole, Da:	5.26
IP(EA), eV:	-6.47(2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-2-(4-methylphenyl)sulfanyl-3,3-bis(methylsulfanyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

[Li+].CC(C)(C)C[N-][C@H](CN1CCN(CC1)C)C(C)(C)C

DOS

IR

Vibrations