Geometry & MOs

Info

ID:

47057

PubChem CID:

10529223

Reduced:

O6H26C31 (1)

Stoich.:

A6B26C31 (1)

Weight, g/mol:

494.151158

ΔHf, kcal/mol:

-110.23

Dipole, Da:

6.05

IP(EA), eV:

 -8.56(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl (5R,6S,8R,9R)-5-(hydroxymethyl)-10-oxo-9-[(2-phenylacetyl)amino]-7-thia-1-azatricyclo[6.2.0.03,6]dec-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=C(C(=O)C4=CC=CC=C4O3)OCCO)OCC5=CC=CC=C5

DOS

IR

Vibrations