Geometry & MOs

Info

ID:

179417

PubChem CID:

76481371

Reduced:

N5O9C28H37 (1)

Stoich.:

A5B9C28D37 (1)

Weight, g/mol:

657.295811

ΔHf, kcal/mol:

-318.61

Dipole, Da:

4.41

IP(EA), eV:

 -8.62(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

4-[4-amino-5-[[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]amino]-2,2-dimethyl-5-oxopentanoyl]-2,3-dihydro-1,4-oxazine-5-sulfinate

Drug info:

PubChemData

Smile

CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=O)C3C(=O)C2(C(=O)C(C1=O)C(=O)N)O)O)NC(=O)CNCCOC)N(C)C

DOS

IR

Vibrations