Geometry & MOs

Info

ID:

189661

PubChem CID:

77885566

Reduced:

SN3O8H19C23 (1)

Stoich.:

AB3C8D19E23 (1)

Weight, g/mol:

710.132097

ΔHf, kcal/mol:

-161.12

Dipole, Da:

4.99

IP(EA), eV:

 -9.53(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN2C(C(C2=O)NC(=O)C3=CC=CC=C3C(=O)O)SC1C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations