Geometry & MOs

Info

ID:

168539

PubChem CID:

74984334

Reduced:

NSO4C30H35 (1)

Stoich.:

ABC4D30E35 (1)

Weight, g/mol:

431.064334

ΔHf, kcal/mol:

-93.88

Dipole, Da:

6.09

IP(EA), eV:

 -9.01(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,2-dimethylpropanoyl)-7-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5,5-dioxo-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

Drug info:

PubChemData

Smile

CC(=O)C12C(CC3C1(CCC4C3CCC5=CC(=O)CCC45C)C)OC(O2)(C)C6=CC=C(C=C6)N=C=S

DOS

IR

Vibrations