Geometry & MOs

Info

ID:	168533
PubChem CID:	74983255
Reduced:	FOSN8C20H25 (1)
Stoich.:	ABCD8E20F25 (1)
Weight, g/mol:	444.185607
ΔH_f, kcal/mol:	6.83
Dipole, Da:	3.31
IP(EA), eV:	-8.92(-0.98)
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-4-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C2=NC(=C(S2)N)C(=O)NC3=C(N(N=C3)C)N4CC[C@H]([C@@H](CC4)F)N

DOS

IR

Vibrations