Geometry & MOs

Info

ID:	351633
PubChem CID:	127280525
Reduced:	O4N5C19H31 (1)
Stoich.:	A4B5C19D31 (1)
Weight, g/mol:	398.198777
ΔH_f, kcal/mol:	-186.33
Dipole, Da:	3.39
IP(EA), eV:	-9.14(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)C(=O)CN3CCCC3)CC

DOS

IR

Vibrations