Geometry & MOs

Info

ID:

338183

PubChem CID:

127258875

Reduced:

CaPN5O8C18H24 (1)

Stoich.:

ABC5D8E18F24 (1)

Weight, g/mol:

489.115775

ΔHf, kcal/mol:

-297.3

Dipole, Da:

5.76

IP(EA), eV:

 -5.08(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)OC(=O)CCC.[Ca]

DOS

IR

Vibrations