Geometry & MOs

Info

ID:

150527

PubChem CID:

53790220

Reduced:

SN2O3H16C22 (1)

Stoich.:

AB2C3D16E22 (1)

Weight, g/mol:

663.265552

ΔHf, kcal/mol:

-18.63

Dipole, Da:

6.28

IP(EA), eV:

 -9.4(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[(2R,3S)-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-3-methylmorpholin-4-yl]-2H-triazol-4-yl]-1,5-dimethoxypentan-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=CC2=CC(=O)N3C(=C(SC3=N2)C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations