Geometry & MOs

Info

ID:	36427
PubChem CID:	8006430
Reduced:	OF3N6H15C17 (1)
Stoich.:	AB3C6D15E17 (1)
Weight, g/mol:	383.152829
ΔH_f, kcal/mol:	-114.82
Dipole, Da:	4.13
IP(EA), eV:	-9.02(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3C=C(C=CC3=O)C(F)(F)F

DOS

IR

Vibrations