Geometry & MOs

Info

ID:	358651
PubChem CID:	127296430
Reduced:	SN3O3C13H15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	258.103814
ΔH_f, kcal/mol:	-23.24
Dipole, Da:	5.72
IP(EA), eV:	-8.81(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC1=NOC2=C1C=C(C=N2)C(=O)N3CCS(=O)CC3

DOS

IR

Vibrations