Geometry & MOs

Info

ID:

327595

PubChem CID:

126690451

Reduced:

ClO3N4C32H37 (1)

Stoich.:

AB3C4D32E37 (1)

Weight, g/mol:

768.257098

ΔHf, kcal/mol:

-5.06

Dipole, Da:

4.37

IP(EA), eV:

 -8.69(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-fluoro-N-(2-hydroxy-2-methoxyethyl)-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]-N-[[4-[5-[4-(4-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)N(CC1=CC=C(C=C1)Cl)[C@H]2CCN(C2)CC/C=C/3\C4=C(COC5=C3C=C(C=C5)C(C)(C)N=O)NCC=C4

DOS

IR

Vibrations