Geometry & MOs

Info

ID:	351831
PubChem CID:	127282231
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	374.198777
ΔH_f, kcal/mol:	-66.53
Dipole, Da:	2.34
IP(EA), eV:	-8.88(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations