Geometry & MOs

Info

ID:	123253
PubChem CID:	50839449
Reduced:	N2S2F3O3H17C18 (1)
Stoich.:	A2B2C3D3E17F18 (1)
Weight, g/mol:	446.058184
ΔH_f, kcal/mol:	-185.94
Dipole, Da:	7.67
IP(EA), eV:	-8.86(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NS(=O)(=O)C2=C(SC(=C2C3=NOC(=C3)C(F)(F)F)C)C

DOS

IR

Vibrations