Geometry & MOs

Info

ID:	189473
PubChem CID:	77862131
Reduced:	O6C43H72 (1)
Stoich.:	A6B43C72 (1)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	-359.45
Dipole, Da:	3.02
IP(EA), eV:	-9.39(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-9-(2-sulfanylidene-1,3-diazinan-4-yl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCCCCCCCOC(=O)C(=C(C1=CC=C(C=C1)C(C)C2OCCO2)C(=O)OCCCCCCCCCC)CCCCCCCC

DOS

IR

Vibrations