Geometry & MOs

Info

ID:	348664
PubChem CID:	127273775
Reduced:	SO3N6C13H18 (1)
Stoich.:	AB3C6D13E18 (1)
Weight, g/mol:	365.231456
ΔH_f, kcal/mol:	-29.36
Dipole, Da:	4.3
IP(EA), eV:	-9.03(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CNC(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations