Geometry & MOs

Info

ID:	427534
PubChem CID:	135159628
Reduced:	ClFPSN4O5C21H25 (1)
Stoich.:	ABCDE4F5G21H25 (1)
Weight, g/mol:	260.109568
ΔH_f, kcal/mol:	-232.43
Dipole, Da:	3.32
IP(EA), eV:	-8.82(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenyl-N-methyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine

Drug info:

PubChemData

Smile

C/C(=C(\C=C/C(=C)F)/[C@H]1C(=C2C[C@@H](CN2C(=N1)C3=NC=CS3)NP(=O)(OC)OC)C(=O)OC)/Cl

DOS

IR

Vibrations