Geometry & MOs

Info

ID:	77836
PubChem CID:	49661689
Reduced:	FO3N5H26C27 (1)
Stoich.:	AB3C5D26E27 (1)
Weight, g/mol:	369.089561
ΔH_f, kcal/mol:	-24.68
Dipole, Da:	7.45
IP(EA), eV:	-8.71(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(2-methylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations