Geometry & MOs

Info

ID:	188253
PubChem CID:	77689857
Reduced:	OSN2C19H26 (1)
Stoich.:	ABC2D19E26 (1)
Weight, g/mol:	424.192899
ΔH_f, kcal/mol:	-12.6
Dipole, Da:	3.09
IP(EA), eV:	-8.51(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3-[(2-chloro-3-fluorobenzoyl)-cyclohexylamino]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(C)C)(C(=O)N)N(C1=CC=CC=C1)C2=CSC=C2

DOS

IR

Vibrations