Geometry & MOs

Info

ID:	360924
PubChem CID:	127301745
Reduced:	SN2O4C16H28 (1)
Stoich.:	AB2C4D16E28 (1)
Weight, g/mol:	305.129694
ΔH_f, kcal/mol:	-204.83
Dipole, Da:	5.73
IP(EA), eV:	-9.49(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-(oxolan-2-ylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCCC(C1)C(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations