Geometry & MOs

Info

ID:	361801
PubChem CID:	127304707
Reduced:	S2N3O3C11H17 (1)
Stoich.:	A2B3C3D11E17 (1)
Weight, g/mol:	380.086449
ΔH_f, kcal/mol:	-105.59
Dipole, Da:	3.22
IP(EA), eV:	-8.83(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)N2CCCS(=O)(=O)CC2)NC

DOS

IR

Vibrations