Geometry & MOs

Info

ID:

444256

PubChem CID:

135261869

Reduced:

ClF2O4N6C41H41 (1)

Stoich.:

AB2C4D6E41F41 (1)

Weight, g/mol:

520.239579

ΔHf, kcal/mol:

-128.96

Dipole, Da:

5.6

IP(EA), eV:

 -8.96(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(3-benzhydrylphenoxy)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]butanamide

Drug info:

PubChemData

Smile

CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CN=C(C=C3)N4CCN(CC4)CCOC5=CC=CC6=C5CN(C6=O)C7=C(C=C(C=C7)F)F)C

DOS

IR

Vibrations