Geometry & MOs

Info

ID:	65928
PubChem CID:	46391359
Reduced:	FSO3N6C23H25 (1)
Stoich.:	ABC3D6E23F25 (1)
Weight, g/mol:	470.153638
ΔH_f, kcal/mol:	-93.43
Dipole, Da:	7.21
IP(EA), eV:	-9.12(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[6-[2-(4-fluoroanilino)-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCCC(C4)C(=O)NC5CC5

DOS

IR

Vibrations