Geometry & MOs

Info

ID:	336582
PubChem CID:	127255589
Reduced:	NOCl3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	542.331564
ΔH_f, kcal/mol:	-65.8
Dipole, Da:	2.06
IP(EA), eV:	-8.7(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-hydroxycyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCC(=O)C1=C(C=CC(=C1)Cl)Cl.Cl

DOS

IR

Vibrations