Geometry & MOs

Info

ID:	355258
PubChem CID:	127288190
Reduced:	SO3N5C10H13 (1)
Stoich.:	AB3C5D10E13 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-24.25
Dipole, Da:	3.81
IP(EA), eV:	-9.5(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(4-ethyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN3C2=NC=N3

DOS

IR

Vibrations