Geometry & MOs

Info

ID:	298667
PubChem CID:	117653751
Reduced:	F2O2N3C12H15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	411.147744
ΔH_f, kcal/mol:	-161.21
Dipole, Da:	6.2
IP(EA), eV:	-8.83(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)NC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations