Geometry & MOs

Info

ID:	403717
PubChem CID:	135061499
Reduced:	BO4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	423.181251
ΔH_f, kcal/mol:	-248.32
Dipole, Da:	2.82
IP(EA), eV:	-8.56(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S)-1-[(R)-(3-chlorophenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxocyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(C)(CC(=O)OCC)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations