Geometry & MOs

Info

ID:

190110

PubChem CID:

77954755

Reduced:

ClSN5O8H42C44 (1)

Stoich.:

ABC5D8E42F44 (1)

Weight, g/mol:

533.306513

ΔHf, kcal/mol:

-251.29

Dipole, Da:

7.11

IP(EA), eV:

 -8.9(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[1-(3,5-difluorophenyl)-3-hydroxy-4-(hydroxymethylamino)heptan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1C(C(=O)NC2=CC=C(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC3=CC=CS3)CC4=CC=C(C=C4)C5=CC=CC=C5)CC6=CC=CC=C6Cl)C(=O)O)C=C2)O

DOS

IR

Vibrations