Geometry & MOs

Info

ID:

184912

PubChem CID:

77228425

Reduced:

FOCl2N2H7C14 (1)

Stoich.:

ABC2D2E7F14 (1)

Weight, g/mol:

629.07056

ΔHf, kcal/mol:

-21.48

Dipole, Da:

4.14

IP(EA), eV:

 -9.33(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

6-[acetyloxy-(3,9,9-trimethyl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-5-yl)methyl]-6-bromo-3-[(4-nitrophenyl)methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)F)C=C2C3=NC=CC(=C3NC2=O)Cl

DOS

IR

Vibrations