Geometry & MOs

Info

ID:	128023
PubChem CID:	51027191
Reduced:	SiO7C18H30 (1)
Stoich.:	AB7C18D30 (1)
Weight, g/mol:	373.176347
ΔH_f, kcal/mol:	-357.39
Dipole, Da:	4.97
IP(EA), eV:	-9.7(0.65)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1S,2R,3S,4S)-3-[[(4-butoxybenzoyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CO[C@]12CCCC[C@]1(O[C@@H]3[C@@H]4C[C@](C[C@@H]3O2)(C(=O)O4)O[Si](C)(C)C)OC

DOS

IR

Vibrations