Geometry & MOs

Info

ID:	127993
PubChem CID:	51025674
Reduced:	ClN2O5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	307.165782
ΔH_f, kcal/mol:	-158.06
Dipole, Da:	4.22
IP(EA), eV:	-9.09(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1S,2R,3S,4S)-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CC(=O)OCC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations