Geometry & MOs

Info

ID:	360982
PubChem CID:	127301813
Reduced:	ClSO3N4C14H17 (1)
Stoich.:	ABC3D4E14F17 (1)
Weight, g/mol:	370.086639
ΔH_f, kcal/mol:	-92.43
Dipole, Da:	2.61
IP(EA), eV:	-9.23(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CN3CC(=O)NC3=O

DOS

IR

Vibrations