Geometry & MOs

Info

ID:	305261
PubChem CID:	124767823
Reduced:	SN2O3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	263.224915
ΔH_f, kcal/mol:	-133.17
Dipole, Da:	6.82
IP(EA), eV:	-9.01(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-cyclopentylpropanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=N2)NC(=O)[C@@H]3CCCC[C@H]3C(=O)O

DOS

IR

Vibrations