Geometry & MOs

Info

ID:	180425
PubChem CID:	76630588
Reduced:	S2N4O8H22C23 (1)
Stoich.:	A2B4C8D22E23 (1)
Weight, g/mol:	512.119955
ΔH_f, kcal/mol:	-167.26
Dipole, Da:	2.2
IP(EA), eV:	-9.54(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-hydroxycyclopentyl)oxyimino-2-[4-(oxan-4-ylsulfamoyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=C(C=C2)C(=NOC3CCOC3)C(=O)NC4=NC5=C(S4)N=C(C=C5)OCC(=O)O

DOS

IR

Vibrations