Geometry & MOs

Info

ID:	243921
PubChem CID:	99300603
Reduced:	SN3O5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	454.136257
ΔH_f, kcal/mol:	-130.41
Dipole, Da:	8.31
IP(EA), eV:	-8.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methoxy-3-phenylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CN(C2=CC=CC=C12)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations