Geometry & MOs

Info

ID:

328093

PubChem CID:

126692027

Reduced:

N4O5F8H28C35 (1)

Stoich.:

A4B5C8D28E35 (1)

Weight, g/mol:

635.18549

ΔHf, kcal/mol:

-507.83

Dipole, Da:

11.49

IP(EA), eV:

 -9.3(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-hydroxyphenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1[C@H](OC(=O)N1CC2=NC(=NC=C2C3=C(C=C(C(=C3)C4=C(C=C(C=C4)C(=O)O)C)F)OC)N5CC(C5)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations