Geometry & MOs

Info

ID:	386123
PubChem CID:	134980842
Reduced:	BO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	412.236208
ΔH_f, kcal/mol:	-131.82
Dipole, Da:	3.28
IP(EA), eV:	-9.36(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S,3aS,7aR)-4-[(2R)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethenyl-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

B1(C(=CCC(O1)CCC2=CC=CC=C2)C(=C)C(C)C)O

DOS

IR

Vibrations