Geometry & MOs

Info

ID:

43539

PubChem CID:

10321441

Reduced:

N4O5C23H36 (1)

Stoich.:

A4B5C23D36 (1)

Weight, g/mol:

448.145027

ΔHf, kcal/mol:

-218.98

Dipole, Da:

6.14

IP(EA), eV:

 -9.05(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5S,6S)-3-[(3S,5S)-5-[(dimethylsulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)C(=O)N2CCN(CC2)C(=O)N3[C@@H]([C@H](C3=O)CC4CCNCC4)C(=O)O)C

DOS

IR

Vibrations