Geometry & MOs

Info

ID:	170779
PubChem CID:	75278001
Reduced:	ClN4O5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	391.080219
ΔH_f, kcal/mol:	-101.01
Dipole, Da:	7.47
IP(EA), eV:	-9.16(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4,6-difluoro-1,3-benzothiazol-2-yl)oxy]piperidine-1-carbonyl]-3H-pyridin-6-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC(=O)N(CN2)CCCC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations