Geometry & MOs

Info

ID:

159969

PubChem CID:

57304224

Reduced:

ClS2N8O13C24H25 (1)

Stoich.:

AB2C8D13E24F25 (1)

Weight, g/mol:

378.107185

ΔHf, kcal/mol:

-425.56

Dipole, Da:

9.32

IP(EA), eV:

 -8.92(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7S)-2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-4-pyridin-2-ylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C(=C1)C(C(=O)N[C@H]2[C@@H]3N(C2=O)C[C@@](S3)(C(=O)O)N4CCN(C4=O)N=CC=NNC(=O)N)S(=O)(=O)O)Cl)OC(=O)C

DOS

IR

Vibrations