Geometry & MOs

Info

ID:	230449
PubChem CID:	87570924
Reduced:	NSO2C22H23 (1)
Stoich.:	ABC2D22E23 (1)
Weight, g/mol:	499.983433
ΔH_f, kcal/mol:	14.99
Dipole, Da:	7.6
IP(EA), eV:	-7.48(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)-2-(3-cyclopropylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=CC=C1)O)O.C1=CC=C2C(=C1)NC3=CC=CC=C3S2

DOS

IR

Vibrations