Geometry & MOs

Info

ID:	448554
PubChem CID:	135291817
Reduced:	SF2O2C9H10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	493.330442
ΔH_f, kcal/mol:	-161.26
Dipole, Da:	5.94
IP(EA), eV:	-8.54(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]-3-(5-morpholin-4-yl-2-propan-2-ylphenyl)propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)SC)OC(F)F

DOS

IR

Vibrations