Geometry & MOs

Info

ID:

317858

PubChem CID:

126646519

Reduced:

SN2O4F5C28H29 (1)

Stoich.:

AB2C4D5E28F29 (1)

Weight, g/mol:

599.15202

ΔHf, kcal/mol:

-360.71

Dipole, Da:

7.18

IP(EA), eV:

 -9.51(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2-methyl-2-phenylpropyl)amino]propoxy]-2-fluoro-6-methylsulfonylbenzaldehyde

Drug info:

PubChemData

Smile

CC(=O)NCC1=C(C=C(C=C1S(=O)(=O)C)OCCCN(CC2=CC=C(C=C2)F)CC3=CC(=CC=C3)C(F)(F)F)F

DOS

IR

Vibrations