Geometry & MOs

Info

ID:

214982

PubChem CID:

85083952

Reduced:

SN6O9C30H40 (1)

Stoich.:

AB6C9D30E40 (1)

Weight, g/mol:

661.019449

ΔHf, kcal/mol:

-348.56

Dipole, Da:

5.72

IP(EA), eV:

 -8.9(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-3-dimethoxyphosphorylprop-2-enoyl]amino]-3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)OC(=O)C)OC(=O)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations