Geometry & MOs

Info

ID:

81674

PubChem CID:

49854996

Reduced:

FSN5O11C25H36 (1)

Stoich.:

ABC5D11E25F36 (1)

Weight, g/mol:

667.145475

ΔHf, kcal/mol:

-444.13

Dipole, Da:

16.87

IP(EA), eV:

 -8.94(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;(6S,7S)-7-[[(2R,3S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrate

Drug info:

PubChemData

Smile

CC(=O)O.CO/N=C/1\CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F.CS(=O)(=O)O.C1COCCO1

DOS

IR

Vibrations