Geometry & MOs

Info

ID:

224108

PubChem CID:

85338289

Reduced:

SF3N4O6C29H31 (1)

Stoich.:

AB3C4D6E29F31 (1)

Weight, g/mol:

623.317078

ΔHf, kcal/mol:

-326.42

Dipole, Da:

7.68

IP(EA), eV:

 -9.47(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-[6-(benzylamino)-1-(3,5-difluorophenyl)-3,4-dihydroxy-5-methyl-6-oxohexan-2-yl]-4-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations