Geometry & MOs

Info

ID:	185711
PubChem CID:	77336006
Reduced:	NPO5C21H36 (1)
Stoich.:	ABC5D21E36 (1)
Weight, g/mol:	466.049639
ΔH_f, kcal/mol:	-298.12
Dipole, Da:	4.19
IP(EA), eV:	-8.96(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazolidine

Drug info:

PubChemData

Smile

CCCCCCP(=O)(COC1=CC=C(C=C1)CC(C)NC(=O)OCCCC)O

DOS

IR

Vibrations