Geometry & MOs

Info

ID:	321504
PubChem CID:	126666450
Reduced:	O2S2F3N5C22H24 (1)
Stoich.:	A2B2C3D5E22F24 (1)
Weight, g/mol:	422.132509
ΔH_f, kcal/mol:	-180.78
Dipole, Da:	1.99
IP(EA), eV:	-8.72(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(F)(F)F)NC(=O)C1=CC=CC(=N1)CC(=O)NC2=NC(=CS2)C3=C(N=C(S3)C)C

DOS

IR

Vibrations