Geometry & MOs

Info

ID:	142573
PubChem CID:	53059903
Reduced:	SN2O6C22H24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	469.167142
ΔH_f, kcal/mol:	-153.8
Dipole, Da:	6.11
IP(EA), eV:	-8.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=C(C=CC(=C2)C3=CC(=NO3)C)OC

DOS

IR

Vibrations