Geometry & MOs

Info

ID:	281932
PubChem CID:	103914570
Reduced:	ON2F3C14H27 (1)
Stoich.:	AB2C3D14E27 (1)
Weight, g/mol:	334.192629
ΔH_f, kcal/mol:	-242.57
Dipole, Da:	7.09
IP(EA), eV:	-9.1(1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(1,1-dioxothian-3-yl)amino]ethyl]-N-propylcarbamate

Drug info:

PubChemData

Smile

CCC(CC)(CNC1CCN(CC1)CC(F)(F)F)CO

DOS

IR

Vibrations