Geometry & MOs

Info

ID:	447285
PubChem CID:	135281771
Reduced:	FN3O5C28H36 (1)
Stoich.:	AB3C5D28E36 (1)
Weight, g/mol:	312.087685
ΔH_f, kcal/mol:	-236.28
Dipole, Da:	5.02
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-1-[(4-chlorophenyl)-methylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1C(=O)NC2=C(C=CC(=C2)[C@@H](CCC3CC3)N4C=CC=CC4=O)F)OC

DOS

IR

Vibrations