Geometry & MOs

Info

ID:	361466
PubChem CID:	127303566
Reduced:	S2N4O5C12H22 (1)
Stoich.:	A2B4C5D12E22 (1)
Weight, g/mol:	353.231456
ΔH_f, kcal/mol:	-198.62
Dipole, Da:	3.68
IP(EA), eV:	-9.01(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CSCC(=O)N2CCOCC2)S(=O)(=O)N

DOS

IR

Vibrations