Geometry & MOs

Info

ID:	281774
PubChem CID:	103914346
Reduced:	NSO3C12H25 (1)
Stoich.:	ABC3D12E25 (1)
Weight, g/mol:	348.208279
ΔH_f, kcal/mol:	-165.87
Dipole, Da:	4.78
IP(EA), eV:	-9.03(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[(1,1-dioxothian-3-yl)amino]methyl]pentan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC1CCCC1S(=O)(=O)C

DOS

IR

Vibrations