Geometry & MOs

Info

ID:	125862
PubChem CID:	50941576
Reduced:	FNO6C14H16 (1)
Stoich.:	ABC6D14E16 (1)
Weight, g/mol:	312.056008
ΔH_f, kcal/mol:	-275.14
Dipole, Da:	2.59
IP(EA), eV:	-9.31(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-amino-2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC(=O)C(C(=O)OC)NC(=O)CCOC1=CC=C(C=C1)F

DOS

IR

Vibrations