Geometry & MOs

Info

ID:

328087

PubChem CID:

126692017

Reduced:

N4C27H36 (1)

Stoich.:

A4B27C36 (1)

Weight, g/mol:

537.207527

ΔHf, kcal/mol:

45.49

Dipole, Da:

4.74

IP(EA), eV:

 -8.2(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-(3,4-difluorophenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-hydroxyphenyl]propanoate

Drug info:

PubChemData

Smile

CC(=C(C1=CC(=C2C(=C1)NCCN2)C(C)(C3CCCCC3)C4=CC=CC=N4)C(=N)C)C

DOS

IR

Vibrations