Geometry & MOs

Info

ID:	167558
PubChem CID:	74845515
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	290.083747
ΔH_f, kcal/mol:	-111.68
Dipole, Da:	4.95
IP(EA), eV:	-9.41(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1,3-benzothiazol-2-ylmethylamino)methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)CNCC2CNC(=O)NC2=O

DOS

IR

Vibrations