Geometry & MOs

Info

ID:	434673
PubChem CID:	135175466
Reduced:	BrSF2N3O4C31H34 (1)
Stoich.:	ABC2D3E4F31G34 (1)
Weight, g/mol:	332.03358
ΔH_f, kcal/mol:	-210.29
Dipole, Da:	6.45
IP(EA), eV:	-9.1(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-bromophenyl)-3,3-difluoro-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@H](C(=O)N4C5CCC4CC(C5)N)C(C6=CC(=CC=C6)Br)(F)F

DOS

IR

Vibrations