Geometry & MOs

Info

ID:	44108
PubChem CID:	10500713
Reduced:	O5C24H24 (1)
Stoich.:	A5B24C24 (1)
Weight, g/mol:	392.194737
ΔH_f, kcal/mol:	-139.79
Dipole, Da:	3.62
IP(EA), eV:	-8.32(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R,3S)-2-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC2(COC3=CC=CC=C3C2O)O)OCC4=CC=CC=C4

DOS

IR

Vibrations