Geometry & MOs

Info

ID:	167020
PubChem CID:	74766540
Reduced:	FSO2N4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	418.17871
ΔH_f, kcal/mol:	-16.66
Dipole, Da:	5.09
IP(EA), eV:	-9.57(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3R)-1-[4-carbamoyl-5-(pyridin-2-ylamino)-1,3-thiazol-2-yl]piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CCN1C=NC2=C1N=NC=C2C3=CC(=C(C=C3)F)C4=CC=C(C=C4)S(=O)(=O)C(C)C

DOS

IR

Vibrations