Geometry & MOs

Info

ID:	399271
PubChem CID:	135039288
Reduced:	ClNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	440.194737
ΔH_f, kcal/mol:	-118.24
Dipole, Da:	4.26
IP(EA), eV:	-9.57(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (3S,4S,5R)-4-nitro-5-phenyl-3-(2-phenylethyl)pyrrolidine-2,2-dicarboxylate

Drug info:

PubChemData

Smile

C1CC(=O)OCC(NC1=O)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations