Geometry & MOs

Info

ID:

7127

PubChem CID:

71311

Reduced:

S3O5N6H18C19 (1)

Stoich.:

A3B5C6D18E19 (1)

Weight, g/mol:

506.050081

ΔHf, kcal/mol:

-36.39

Dipole, Da:

2.43

IP(EA), eV:

 -8.95(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C=CC2=C(N3[C@@H](C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O

DOS

IR

Vibrations