Geometry & MOs

Info

ID:	89926
PubChem CID:	49965408
Reduced:	ClFOSN4H20C24 (1)
Stoich.:	ABCDE4F20G24 (1)
Weight, g/mol:	318.060903
ΔH_f, kcal/mol:	-6.9
Dipole, Da:	5.67
IP(EA), eV:	-8.46(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[(3-methoxyphenyl)methylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CC2=CC3=C(N=C21)SC(=C3N)C(=O)NC4=C(C=C(C=C4)Cl)F)CC5=CC=CC=C5

DOS

IR

Vibrations