Geometry & MOs

Info

ID:	217168
PubChem CID:	85087361
Reduced:	O4C21H22 (1)
Stoich.:	A4B21C22 (1)
Weight, g/mol:	342.03051
ΔH_f, kcal/mol:	-79.13
Dipole, Da:	3.24
IP(EA), eV:	-8.45(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-phenylselanyl-1-propyl-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1COC(O1)C=CC(=COCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations