Geometry & MOs

Info

ID:	361826
PubChem CID:	127304732
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	338.093643
ΔH_f, kcal/mol:	-176.09
Dipole, Da:	6.84
IP(EA), eV:	-9.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations