Geometry & MOs

Info

ID:	353280
PubChem CID:	127284460
Reduced:	SN3O5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	367.156577
ΔH_f, kcal/mol:	-121.22
Dipole, Da:	4.73
IP(EA), eV:	-9.62(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-1-oxobutan-2-yl]urea

Drug info:

PubChemData

Smile

CC1=NC(=NO1)COC2=CC=CC=C2C(=O)N3CCS(=O)(=O)CC3

DOS

IR

Vibrations