Geometry & MOs

Info

ID:	281490
PubChem CID:	103913947
Reduced:	SN2O4C15H28 (1)
Stoich.:	AB2C4D15E28 (1)
Weight, g/mol:	346.192629
ΔH_f, kcal/mol:	-214.5
Dipole, Da:	3.98
IP(EA), eV:	-9.17(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(1,1-dioxothian-3-yl)amino]azepane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)NC2CCCC2S(=O)(=O)C

DOS

IR

Vibrations