Geometry & MOs

Info

ID:	395977
PubChem CID:	135027083
Reduced:	O3H16C17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	402.134635
ΔH_f, kcal/mol:	-42.05
Dipole, Da:	3.04
IP(EA), eV:	-9.26(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3R,4S,5S)-5-(4-chlorophenyl)-4-nitro-3-phenylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CO1)C2=C(C=CC(=C2)OC)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations