Geometry & MOs

Info

ID:	27711
PubChem CID:	823203
Reduced:	SO2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	220.067034
ΔH_f, kcal/mol:	-19.88
Dipole, Da:	7.25
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C2=NN(C(=O)SC2)CC=C

DOS

IR

Vibrations