Geometry & MOs

Info

ID:	147744
PubChem CID:	53787402
Reduced:	N3O5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	158.999014
ΔH_f, kcal/mol:	-140.57
Dipole, Da:	7.29
IP(EA), eV:	-8.97(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-6H-1,4-thiazepin-7-one

Drug info:

PubChemData

Smile

C1CN(C(=O)C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CN4CCOCC4

DOS

IR

Vibrations