Geometry & MOs

Info

ID:	43553
PubChem CID:	10321461
Reduced:	ClOF3N4H20C22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	448.118985
ΔH_f, kcal/mol:	-119.49
Dipole, Da:	1.22
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-[4-(4-chlorophenyl)benzoyl]-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations