Geometry & MOs

Info

ID:

219267

PubChem CID:

85098325

Reduced:

F2N3O7C36H43 (1)

Stoich.:

A2B3C7D36E43 (1)

Weight, g/mol:

667.332961

ΔHf, kcal/mol:

-364.44

Dipole, Da:

3.79

IP(EA), eV:

 -8.96(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[6-azido-5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)C(CNC(=O)OC(C)(C)C)(F)F)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations