Geometry & MOs

Info

ID:	44296
PubChem CID:	10502573
Reduced:	ClN2F6H9C20 (1)
Stoich.:	AB2C6D9E20 (1)
Weight, g/mol:	426.011092
ΔH_f, kcal/mol:	-213.67
Dipole, Da:	4.89
IP(EA), eV:	-9.95(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(4-methoxyphenyl)acetyl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C(F)(F)F)C#N)C(F)(F)F

DOS

IR

Vibrations