Geometry & MOs

Info

ID:	168531
PubChem CID:	74983236
Reduced:	SO2F4N7C21H23 (1)
Stoich.:	AB2C4D7E21F23 (1)
Weight, g/mol:	447.196506
ΔH_f, kcal/mol:	-184.11
Dipole, Da:	5.08
IP(EA), eV:	-8.42(-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-(1,5-dimethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC(C1N)O)C2=C(C=NN2CC(F)F)NC(=O)C3=C(SC(=N3)C4=C(C=CC=C4F)F)N

DOS

IR

Vibrations