Geometry & MOs

Info

ID:	396015
PubChem CID:	135027202
Reduced:	O7H28C32 (1)
Stoich.:	A7B28C32 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-163.35
Dipole, Da:	2.19
IP(EA), eV:	-8.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(C=C4CCC5=C(C4=C3)C(=C(C=C5)OC)OC6=CC7C=C(C6(C(=O)O7)O)CC2)OC

DOS

IR

Vibrations