Geometry & MOs

Info

ID:	367590
PubChem CID:	127325079
Reduced:	S2N4O4C15H20 (1)
Stoich.:	A2B4C4D15E20 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-105.84
Dipole, Da:	8.24
IP(EA), eV:	-9.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-pyridin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCOCC3)C

DOS

IR

Vibrations