Geometry & MOs

Info

ID:

168758

PubChem CID:

75014586

Reduced:

SN2O5C25H28 (1)

Stoich.:

AB2C5D25E28 (1)

Weight, g/mol:

635.307023

ΔHf, kcal/mol:

-149.97

Dipole, Da:

6.29

IP(EA), eV:

 -9.11(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]triazolidin-4-yl]methyl]-N-propan-2-ylpropan-2-amine

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C=O)NS(=O)(=O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations