Geometry & MOs

Info

ID:	125498
PubChem CID:	50926818
Reduced:	FSO3N6C22H23 (1)
Stoich.:	ABC3D6E22F23 (1)
Weight, g/mol:	432.19436
ΔH_f, kcal/mol:	-88.76
Dipole, Da:	10.44
IP(EA), eV:	-9.03(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-(tert-butylamino)-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-cyclopropylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2CCN(CC2)C3=NC4=C(S3)C(=O)N(C=N4)CC(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations