Geometry & MOs

Info

ID:	321498
PubChem CID:	126666435
Reduced:	NSO3C8H9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	400.136925
ΔH_f, kcal/mol:	-91.14
Dipole, Da:	2.81
IP(EA), eV:	-10.1(-1.78)
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-methoxy-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC=C(S1)C(=O)C

DOS

IR

Vibrations