Geometry & MOs

Info

ID:	369836
PubChem CID:	127336403
Reduced:	S2N3O4C15H27 (1)
Stoich.:	A2B3C4D15E27 (1)
Weight, g/mol:	391.159949
ΔH_f, kcal/mol:	-185.84
Dipole, Da:	1.97
IP(EA), eV:	-8.78(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)N2CCSCC2)S(=O)(=O)C3CCOCC3

DOS

IR

Vibrations