Geometry & MOs

Info

ID:

108432

PubChem CID:

50244702

Reduced:

F2O5N6C39H48 (1)

Stoich.:

A2B5C6D39E48 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-286.02

Dipole, Da:

5.28

IP(EA), eV:

 -8.23(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations