Geometry & MOs

Info

ID:	123341
PubChem CID:	50843489
Reduced:	SO2N4C27H28 (1)
Stoich.:	AB2C4D27E28 (1)
Weight, g/mol:	465.19986
ΔH_f, kcal/mol:	-11.17
Dipole, Da:	4.79
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2N4CCC(CC4)C(=O)NC5=CC=CC(=C5)C

DOS

IR

Vibrations