Geometry & MOs

Info

ID:	80418
PubChem CID:	49834353
Reduced:	ClSO3N4C22H23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	522.123641
ΔH_f, kcal/mol:	-49.07
Dipole, Da:	8.36
IP(EA), eV:	-9.01(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-fluorophenyl)sulfonyl-N-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CNC(=O)C2=C1C=CC(=C2)N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C4=NN(C=C4)C)C

DOS

IR

Vibrations