Geometry & MOs

Info

ID:

191338

PubChem CID:

78133649

Reduced:

BrN2O3H17C24 (1)

Stoich.:

AB2C3D17E24 (1)

Weight, g/mol:

950.415226

ΔHf, kcal/mol:

75.92

Dipole, Da:

6.73

IP(EA), eV:

 -9.64(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-7-[[2-[[4-[hydroxy-[5-[[4-[hydroxy-[5-[[4-[hydroxy(5-hydroxypentyl)amino]-4-oxobutanoyl]amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]amino]-4-oxobutanoyl]amino]-2-phenylacetyl]amino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(C(C(=C(O2)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)Br)[N+](=O)[O-]

DOS

IR

Vibrations