Geometry & MOs

Info

ID:

59667

PubChem CID:

24892783

Reduced:

P2N5O11C15H23 (1)

Stoich.:

A2B5C11D15E23 (1)

Weight, g/mol:

697.242729

ΔHf, kcal/mol:

-539.7

Dipole, Da:

4.56

IP(EA), eV:

 -9.0(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate;(5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate

Drug info:

PubChemData

Smile

C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)/CO

DOS

IR

Vibrations