Geometry & MOs

Info

ID:	278209
PubChem CID:	103834100
Reduced:	BrSN2F3O3C8H8 (1)
Stoich.:	ABC2D3E3F8G8 (1)
Weight, g/mol:	334.081027
ΔH_f, kcal/mol:	-243.74
Dipole, Da:	2.52
IP(EA), eV:	-10.56(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=C(C=NC=C1Br)S(=O)(=O)NCC(C(F)(F)F)O

DOS

IR

Vibrations