Geometry & MOs

Info

ID:	81812
PubChem CID:	49855195
Reduced:	SO2F3N6C22H29 (1)
Stoich.:	AB2C3D6E22F29 (1)
Weight, g/mol:	495.076803
ΔH_f, kcal/mol:	-211.95
Dipole, Da:	6.92
IP(EA), eV:	-8.84(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-1,3-thiazol-2-yl)-4-(1-cyanopropan-2-yloxy)-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)N2CC[C@H]([C@H]2C(=O)N)CN(C)C)C3=CC(=CN=C3)C(C)(C)C(F)(F)F

DOS

IR

Vibrations