Geometry & MOs

Info

ID:	274674
PubChem CID:	103810967
Reduced:	SN2O3C11H22 (1)
Stoich.:	AB2C3D11E22 (1)
Weight, g/mol:	234.103814
ΔH_f, kcal/mol:	-153.49
Dipole, Da:	7.12
IP(EA), eV:	-9.24(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)butan-1-one

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCCS(=O)(=O)CC1)N

DOS

IR

Vibrations