Geometry & MOs

Info

ID:	180435
PubChem CID:	76632062
Reduced:	OCl3N3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	272.098334
ΔH_f, kcal/mol:	98.11
Dipole, Da:	6.23
IP(EA), eV:	-9.41(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-5-phenylsulfanyloxypyrazolidine

Drug info:

PubChemData

Smile

C1CN2C(=CC(=O)C(Cl)(Cl)Cl)N=C3C=CC=CC3C2=N1

DOS

IR

Vibrations