Geometry & MOs

Info

ID:	168534
PubChem CID:	74983256
Reduced:	FOSN8C20H25 (1)
Stoich.:	ABCD8E20F25 (1)
Weight, g/mol:	455.165206
ΔH_f, kcal/mol:	2.6
Dipole, Da:	2.55
IP(EA), eV:	-8.82(-1.09)
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-(6-cyanopyridin-2-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NC(=C(S2)N)C(=O)NC3=C(N(N=C3)C)N4CC[C@H]([C@@H](CC4)F)N

DOS

IR

Vibrations