Geometry & MOs

Info

ID:

104773

PubChem CID:

50105416

Reduced:

F4O5N6C42H44 (1)

Stoich.:

A4B5C6D42E44 (1)

Weight, g/mol:

770.340353

ΔHf, kcal/mol:

-329.44

Dipole, Da:

6.67

IP(EA), eV:

 -9.06(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations