Geometry & MOs

Info

ID:

148932

PubChem CID:

53788602

Reduced:

N4O7C42H54 (1)

Stoich.:

A4B7C42D54 (1)

Weight, g/mol:

549.110038

ΔHf, kcal/mol:

-280.31

Dipole, Da:

10.51

IP(EA), eV:

 -9.23(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-nitrosoacetyl]amino]-3-[[1-(4-hydroxypyrrolidin-3-yl)-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCCN3CC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations