Geometry & MOs

Info

ID:

406989

PubChem CID:

135079081

Reduced:

NPO6C29H40 (1)

Stoich.:

ABC6D29E40 (1)

Weight, g/mol:

616.191078

ΔHf, kcal/mol:

-319.31

Dipole, Da:

2.93

IP(EA), eV:

 -9.26(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl (5R,6S)-3-(4-methylphenyl)sulfonyloxy-7-oxo-6-[(1R)-1-triethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N\1CCCCCCCCCC/C=C1\OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations