Geometry & MOs

Info

ID:	66036
PubChem CID:	46488234
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	444.063663
ΔH_f, kcal/mol:	-154.53
Dipole, Da:	5.1
IP(EA), eV:	-9.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfonyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCCN1C(=O)/C(=C/C2=CC=CC=C2)/SC1=O)NC(=O)C3CCCC3

DOS

IR

Vibrations