Geometry & MOs

Info

ID:	44210
PubChem CID:	10502028
Reduced:	SO5H16C24 (1)
Stoich.:	AB5C16D24 (1)
Weight, g/mol:	416.126674
ΔH_f, kcal/mol:	-75.25
Dipole, Da:	6.73
IP(EA), eV:	-9.69(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-[(2,4-diaminopteridin-6-yl)methyl]-1-methoxy-1-oxobutan-2-yl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)/C(=C\C2=COC3=CC=CC=C3C2=O)/S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations