Geometry & MOs

Info

ID:	224748
PubChem CID:	85349199
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-53.95
Dipole, Da:	5.93
IP(EA), eV:	-8.34(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-5-ethyl-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC2(C1CC3=C(C(=O)OC3(C2)O)C)C

DOS

IR

Vibrations