Geometry & MOs

Info

ID:	184063
PubChem CID:	77105007
Reduced:	O2S2N8H20C23 (1)
Stoich.:	A2B2C8D20E23 (1)
Weight, g/mol:	434.155432
ΔH_f, kcal/mol:	121.63
Dipole, Da:	4.17
IP(EA), eV:	-8.74(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-(1H-imidazol-2-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=NC(=NC4=C3SC=C4)NC5=CC=C(C=C5)C#N

DOS

IR

Vibrations