Geometry & MOs

Info

ID:

394730

PubChem CID:

135023657

Reduced:

IOC18H19 (1)

Stoich.:

ABC18D19 (1)

Weight, g/mol:

542.187543

ΔHf, kcal/mol:

31.15

Dipole, Da:

3.31

IP(EA), eV:

 -9.51(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,10R,11R)-11-[(2S,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-8-oxa-14-thia-16-azatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6-triene-10-carboxylate

Drug info:

PubChemData

Smile

CC(CCC#C)C1CCC(=O)C=C1C2=CC=C(C=C2)I

DOS

IR

Vibrations