Geometry & MOs

Info

ID:	35906
PubChem CID:	7980474
Reduced:	SN2O5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-158.4
Dipole, Da:	2.72
IP(EA), eV:	-9.74(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations