Geometry & MOs

Info

ID:	123268
PubChem CID:	50840070
Reduced:	SN2F3O3H19C20 (1)
Stoich.:	AB2C3D3E19F20 (1)
Weight, g/mol:	457.074168
ΔH_f, kcal/mol:	-186.43
Dipole, Da:	5.27
IP(EA), eV:	-9.16(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C2=NOC(=C2)C(F)(F)F)S(=O)(=O)NC3=CC=CC(=C3C)C

DOS

IR

Vibrations