Geometry & MOs

Info

ID:

328146

PubChem CID:

126692260

Reduced:

ClFN4H22C23 (1)

Stoich.:

ABC4D22E23 (1)

Weight, g/mol:

708.198281

ΔHf, kcal/mol:

63.17

Dipole, Da:

8.84

IP(EA), eV:

 -8.38(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[2-(azetidin-1-yl)-4-[[5-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2,4-difluorophenyl]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC1)C)/C(=C/C(=C2NCCN2)C3=C4C=CC=C(C4=NC=C3Cl)F)/C=C

DOS

IR

Vibrations