Geometry & MOs

Info

ID:	369872
PubChem CID:	127336531
Reduced:	ClSO2N4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	369.208613
ΔH_f, kcal/mol:	8.19
Dipole, Da:	3.84
IP(EA), eV:	-9.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CCC2=CC(=CS2)Cl)CC3=NOC(=N3)C4CC4

DOS

IR

Vibrations