Geometry & MOs

Info

ID:	243039
PubChem CID:	99215239
Reduced:	BrFO2N4C21H24 (1)
Stoich.:	ABC2D4E21F24 (1)
Weight, g/mol:	451.139962
ΔH_f, kcal/mol:	-93.93
Dipole, Da:	6.91
IP(EA), eV:	-8.21(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1CNC(=O)CCNC(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)F

DOS

IR

Vibrations