Geometry & MOs

Info

ID:	219425
PubChem CID:	85148644
Reduced:	SN4O4C27H30 (1)
Stoich.:	AB4C4D27E30 (1)
Weight, g/mol:	508.12792
ΔH_f, kcal/mol:	-109.5
Dipole, Da:	4.65
IP(EA), eV:	-8.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(6-oxo-1,3,5-triphenyl-2-sulfanylidene-1,3-diazinan-4-yl) 4-methylbenzenecarbothioate

Drug info:

PubChemData

Smile

C1CC(C(C1)C(=O)NCC2=CC=C(C=C2)N)C(=O)NCC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N

DOS

IR

Vibrations