Geometry & MOs

Info

ID:	142576
PubChem CID:	53059906
Reduced:	BrFSN2O5H18C20 (1)
Stoich.:	ABCD2E5F18G20 (1)
Weight, g/mol:	497.198442
ΔH_f, kcal/mol:	-146.66
Dipole, Da:	10.49
IP(EA), eV:	-9.25(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)CCC(=O)NC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations