Geometry & MOs

Info

ID:

44835

PubChem CID:

10506102

Reduced:

OSN4H11C12 (2)

Stoich.:

ABC4D11E12 (2)

Weight, g/mol:

518.187543

ΔHf, kcal/mol:

154.08

Dipole, Da:

11.33

IP(EA), eV:

 -9.15(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NN3C(=NN=C3S2)CCC4=NN=C5N4N=C(S5)COC6=CC=C(C=C6)C

DOS

IR

Vibrations