Geometry & MOs

Info

ID:

191526

PubChem CID:

78158294

Reduced:

SN2Na3P3C9H14O14 (1)

Stoich.:

AB2C3D3E9F14G14 (1)

Weight, g/mol:

638.285283

ΔHf, kcal/mol:

-1049.82

Dipole, Da:

6.76

IP(EA), eV:

 -8.01(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[6-azido-1-oxo-1-[[1-oxo-1-[[1-oxo-3-(4-prop-2-ynoxyphenyl)propan-2-yl]amino]-3-phenylpropan-2-yl]amino]hexan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=S)(O)[O-])O)O.[Na+].[Na+].[Na+]

DOS

IR

Vibrations