Geometry & MOs

Info

ID:	143775
PubChem CID:	53259504
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-8.58
Dipole, Da:	0.77
IP(EA), eV:	-8.53(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4S)-4-[(4-methylphenyl)sulfonylamino]-1-phenylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@]12C[C@@H]1CCCN2[C@@H](COC)C3=CC=CC=C3

DOS

IR

Vibrations