Geometry & MOs

Info

ID:	354097
PubChem CID:	127286028
Reduced:	SN3O3C17H33 (1)
Stoich.:	AB3C3D17E33 (1)
Weight, g/mol:	372.219512
ΔH_f, kcal/mol:	-150.05
Dipole, Da:	6.52
IP(EA), eV:	-8.82(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(4-ethyl-1,4-diazepan-1-yl)ethanone

Drug info:

PubChemData

Smile

CCN1CCCN(CC1)CC(=O)N(CC(C)C)C2CCS(=O)(=O)C2

DOS

IR

Vibrations