Geometry & MOs

Info

ID:	348437
PubChem CID:	127273538
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	385.203528
ΔH_f, kcal/mol:	-4.74
Dipole, Da:	7.11
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)C(=O)NC3=CN=C(N=C3)C(C)(C)C

DOS

IR

Vibrations