Geometry & MOs

Info

ID:	360933
PubChem CID:	127301764
Reduced:	NS2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	338.093643
ΔH_f, kcal/mol:	-112.04
Dipole, Da:	4.78
IP(EA), eV:	-8.78(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-oxoethyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

DOS

IR

Vibrations