Geometry & MOs

Info

ID:	360946
PubChem CID:	127301777
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	352.109293
ΔH_f, kcal/mol:	-90.0
Dipole, Da:	6.58
IP(EA), eV:	-9.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations