Geometry & MOs

Info

ID:	77400
PubChem CID:	48428587
Reduced:	SO2N5C15H23 (1)
Stoich.:	AB2C5D15E23 (1)
Weight, g/mol:	400.156912
ΔH_f, kcal/mol:	-62.95
Dipole, Da:	6.33
IP(EA), eV:	-8.5(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-oxo-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethoxy]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)N)C(=O)N2CCCN(CC2)C3=NC=CS3

DOS

IR

Vibrations