Geometry & MOs

Info

ID:	358633
PubChem CID:	127296412
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	286.135114
ΔH_f, kcal/mol:	-121.77
Dipole, Da:	6.84
IP(EA), eV:	-8.53(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(C(=O)CC1)CC(=O)N2CCS(=O)CC2

DOS

IR

Vibrations