Geometry & MOs

Info

ID:

317853

PubChem CID:

126646501

Reduced:

ClNSF4O4C30H34 (1)

Stoich.:

ABCD4E4F30G34 (1)

Weight, g/mol:

614.162919

ΔHf, kcal/mol:

-340.31

Dipole, Da:

8.76

IP(EA), eV:

 -8.9(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-[2-(4-fluorophenyl)ethyl]amino]propoxy]-2-methylsulfonylphenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1S(=O)(=O)C)OCCCN(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C)(C)C3=CC=CC=C3)F)O

DOS

IR

Vibrations