Geometry & MOs

Info

ID:	353678
PubChem CID:	127285255
Reduced:	SO3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	371.187878
ΔH_f, kcal/mol:	-94.2
Dipole, Da:	4.57
IP(EA), eV:	-9.38(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

DOS

IR

Vibrations