Geometry & MOs

Info

ID:	176063
PubChem CID:	75989959
Reduced:	SiN2O9C44H54 (1)
Stoich.:	AB2C9D44E54 (1)
Weight, g/mol:	172.067034
ΔH_f, kcal/mol:	-330.31
Dipole, Da:	5.32
IP(EA), eV:	-8.44(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(C(N3C(C2)C(=O)NC(C3=O)CC4=CC(=C(C(=C4OC)C)OC)OC)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C(=C1OC)OC)OC

DOS

IR

Vibrations