Geometry & MOs

Info

ID:	354392
PubChem CID:	127286636
Reduced:	SO2N4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	310.109962
ΔH_f, kcal/mol:	-64.09
Dipole, Da:	1.0
IP(EA), eV:	-8.83(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-[2-(thiophene-2-carbonylamino)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NCCNC(=O)C3=CC=CS3

DOS

IR

Vibrations