Geometry & MOs

Info

ID:	157302
PubChem CID:	56422773
Reduced:	SO4N5C17H19 (1)
Stoich.:	AB4C5D17E19 (1)
Weight, g/mol:	410.1615
ΔH_f, kcal/mol:	-99.77
Dipole, Da:	11.69
IP(EA), eV:	-8.73(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=NN=C(C=C2)N3CCCC3

DOS

IR

Vibrations