Geometry & MOs

Info

ID:	370523
PubChem CID:	127339531
Reduced:	NS2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-120.54
Dipole, Da:	6.23
IP(EA), eV:	-9.38(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)C(=O)C2=CC(=C(S2)C)C

DOS

IR

Vibrations