Geometry & MOs

Info

ID:	243128
PubChem CID:	99215814
Reduced:	SCl2O3N4C19H20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	457.068604
ΔH_f, kcal/mol:	-55.49
Dipole, Da:	3.46
IP(EA), eV:	-8.96(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroethyl N-[3-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]carbamate

Drug info:

PubChemData

Smile

C1CC1NC2=NC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations