Geometry & MOs

Info

ID:	128007
PubChem CID:	51026137
Reduced:	ClNO4H22C23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	278.08509
ΔH_f, kcal/mol:	-126.13
Dipole, Da:	5.97
IP(EA), eV:	-9.19(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1S,2R,3S,4S)-3-(thiophen-2-ylmethylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@H]1[C@H]([C@@H]2C(=O)OCC(=O)NC3=CC(=CC=C3)Cl)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations