Geometry & MOs

Info

ID:	168532
PubChem CID:	74983254
Reduced:	FOSN9C19H26 (1)
Stoich.:	ABCD9E19F26 (1)
Weight, g/mol:	444.185607
ΔH_f, kcal/mol:	8.96
Dipole, Da:	4.38
IP(EA), eV:	-8.5(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-[5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2-methylpyridin-3-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C2=NC(=C(S2)N)C(=O)NC3=C(N(N=C3)C)N4CC[C@H]([C@@H](CC4)F)N

DOS

IR

Vibrations