Geometry & MOs

Info

ID:	396178
PubChem CID:	135027616
Reduced:	Br2O2H10C17 (1)
Stoich.:	A2B2C10D17 (1)
Weight, g/mol:	374.103335
ΔH_f, kcal/mol:	4.63
Dipole, Da:	2.08
IP(EA), eV:	-9.13(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S,4R,5R)-5-(4-chlorophenyl)-3-(3-methylphenyl)-4-nitropyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC3(O2)C=CC4=C(O3)C=CC(=C4)Br)C=C1Br

DOS

IR

Vibrations