Geometry & MOs

Info

ID:	346244
PubChem CID:	127270748
Reduced:	SN6C12H18 (1)
Stoich.:	AB6C12D18 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	96.79
Dipole, Da:	4.9
IP(EA), eV:	-9.08(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=NN=C(N2C)C3CC3)C

DOS

IR

Vibrations