Geometry & MOs

Info

ID:

179508

PubChem CID:

76491446

Reduced:

N5O8C28H35 (1)

Stoich.:

A5B8C28D35 (1)

Weight, g/mol:

811.206047

ΔHf, kcal/mol:

-266.24

Dipole, Da:

5.96

IP(EA), eV:

 -9.58(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-trityloxyiminoacetyl]amino]-3-[[1-(3-nitrophenyl)-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CNC(CCCN=C(N)N)(C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N(CC(=O)O)CC(=O)O

DOS

IR

Vibrations