Geometry & MOs

Info

ID:	77398
PubChem CID:	48428354
Reduced:	OS2N7C16H23 (1)
Stoich.:	AB2C7D16E23 (1)
Weight, g/mol:	340.102768
ΔH_f, kcal/mol:	62.07
Dipole, Da:	5.09
IP(EA), eV:	-8.75(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-oxo-3-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propyl]-1,3-thiazolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=NN=N2)SCC(=O)N3CCCN(CC3)C4=NC=CS4

DOS

IR

Vibrations