Geometry & MOs

Info

ID:	151497
PubChem CID:	53837730
Reduced:	ClS2N3O6H14C16 (1)
Stoich.:	AB2C3D6E14F16 (1)
Weight, g/mol:	448.077218
ΔH_f, kcal/mol:	-89.02
Dipole, Da:	6.08
IP(EA), eV:	-8.73(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-chloro-4-fluoro-5-(1-hydroxy-3-sulfanylidene-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-2-yl)phenoxy]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1ONC3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2

DOS

IR

Vibrations