Geometry & MOs

Info

ID:	127954
PubChem CID:	51024653
Reduced:	NC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	458.143747
ΔH_f, kcal/mol:	32.37
Dipole, Da:	2.54
IP(EA), eV:	-8.71(0.36)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1S,2R,3S,4S)-3-[[4-(4-fluorophenyl)-5-methyl-3-propoxycarbonylthiophen-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@H]2[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

DOS

IR

Vibrations