Geometry & MOs

Info

ID:	123249
PubChem CID:	50839328
Reduced:	SO3N4H16C20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	450.008647
ΔH_f, kcal/mol:	34.32
Dipole, Da:	7.42
IP(EA), eV:	-9.42(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC(=CC=C3)S(=O)(=O)NC4=CN=CC=C4

DOS

IR

Vibrations