Geometry & MOs

Info

ID:	77838
PubChem CID:	49661707
Reduced:	FOSN6C19H19 (1)
Stoich.:	ABCD6E19F19 (1)
Weight, g/mol:	393.087116
ΔH_f, kcal/mol:	23.17
Dipole, Da:	6.61
IP(EA), eV:	-9.35(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC=C2C(=N1)N=CN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations