Geometry & MOs

Info

ID:

168155

PubChem CID:

74930412

Reduced:

NSO4C27H33 (1)

Stoich.:

ABC4D27E33 (1)

Weight, g/mol:

467.195088

ΔHf, kcal/mol:

-145.47

Dipole, Da:

6.55

IP(EA), eV:

 -8.63(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]carbamoyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)SCC(=O)C2(CCC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)O

DOS

IR

Vibrations