Geometry & MOs

Info

ID:	146719
PubChem CID:	53734179
Reduced:	SO2C18H38 (1)
Stoich.:	AB2C18D38 (1)
Weight, g/mol:	609.19096
ΔH_f, kcal/mol:	-167.17
Dipole, Da:	5.61
IP(EA), eV:	-10.55(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-[(4-methoxyphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCS(=O)(=O)CCC

DOS

IR

Vibrations