Geometry & MOs

Info

ID:	203878
PubChem CID:	79886831
Reduced:	NSF2O3C11H13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	248.119464
ΔH_f, kcal/mol:	-193.1
Dipole, Da:	8.26
IP(EA), eV:	-9.91(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(butylamino)ethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1OC2=C(C=C(C=C2F)CN)F

DOS

IR

Vibrations