Geometry & MOs

Info

ID:

219344

PubChem CID:

85098836

Reduced:

O9N10C40H60 (1)

Stoich.:

A9B10C40D60 (1)

Weight, g/mol:

829.126195

ΔHf, kcal/mol:

-383.37

Dipole, Da:

6.4

IP(EA), eV:

 -9.03(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(4-nitrophenyl)methoxycarbonyl]-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]oxy-triphenoxyphosphanium;chloride

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)NC(C=CC(=O)NCC(C(=O)N2CCCC2C(=O)NC(C(=O)C(=O)N1)CCCN=C(N)N)NC(=O)C(C)NC(=O)CC(C)C)CC3=CC=C(C=C3)O

DOS

IR

Vibrations