Geometry & MOs

Info

ID:

43971

PubChem CID:

10322568

Reduced:

NO6C9H18 (2)

Stoich.:

AB6C9D18 (2)

Weight, g/mol:

472.163436

ΔHf, kcal/mol:

-578.93

Dipole, Da:

6.28

IP(EA), eV:

 -9.88(0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R)-2-cyclohexa-1,4-dien-1-yl-2-[(2S,3S)-3-(1,3-dioxoisoindol-2-yl)-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]acetate

Drug info:

PubChemData

Smile

C(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

DOS

IR

Vibrations