Geometry & MOs

Info

ID:

176484

PubChem CID:

76058191

Reduced:

SN3O3C20H25 (2)

Stoich.:

AB3C3D20E25 (2)

Weight, g/mol:

470.092991

ΔHf, kcal/mol:

-133.32

Dipole, Da:

6.45

IP(EA), eV:

 -8.53(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-[acetyl(sulfamoyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C2C(=C3C(=C(C(=CC4=C(C(=C(N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C)CCC(=O)O)CCC(=O)O)C)N3)CC)C)C(=O)C(CS)NC(=O)C(CS)N

DOS

IR

Vibrations