Geometry & MOs

Info

ID:

170436

PubChem CID:

75233064

Reduced:

SN2O4H11C13 (2)

Stoich.:

AB2C4D11E13 (2)

Weight, g/mol:

618.109035

ΔHf, kcal/mol:

-182.25

Dipole, Da:

13.57

IP(EA), eV:

 -9.75(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[4-[[2-carboxy-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]carbamoyl]benzoyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C=CC1=C(N2C(C(C2=O)NC(=O)C3=CC=C(C=C3)C(=O)NC4C5N(C4=O)C(=C(CS5)C=C)C(=O)O)SC1)C(=O)O

DOS

IR

Vibrations