Geometry & MOs

Info

ID:	139140
PubChem CID:	52481280
Reduced:	N2O2F3H19C24 (1)
Stoich.:	A2B2C3D19E24 (1)
Weight, g/mol:	380.101763
ΔH_f, kcal/mol:	-178.76
Dipole, Da:	8.45
IP(EA), eV:	-8.85(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]sulfamoyl]benzoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations