Geometry & MOs

Info

ID:	369507
PubChem CID:	127334249
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	366.141342
ΔH_f, kcal/mol:	-83.02
Dipole, Da:	3.23
IP(EA), eV:	-8.8(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)N1CCN(CC1)CC2=CC=CS2)NC(=O)N3CCCC3

DOS

IR

Vibrations