Geometry & MOs

Info

ID:

328116

PubChem CID:

126692124

Reduced:

O3N5C30H45 (1)

Stoich.:

A3B5C30D45 (1)

Weight, g/mol:

567.309707

ΔHf, kcal/mol:

-24.67

Dipole, Da:

7.69

IP(EA), eV:

 -9.04(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]cyclohexane-1-carbaldehyde

Drug info:

PubChemData

Smile

CCC(/C=C(/C(C)/C(=N\C(=NC=C)N1CN1C)/CN(C=O)C(C)C)\C(=C)CC)C2CC=C(C=C2C)C(=O)O

DOS

IR

Vibrations