Geometry & MOs

Info

ID:

109056

PubChem CID:

50270999

Reduced:

F3O5N6C41H49 (1)

Stoich.:

A3B5C6D41E49 (1)

Weight, g/mol:

786.335268

ΔHf, kcal/mol:

-334.52

Dipole, Da:

6.58

IP(EA), eV:

 -8.72(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-fluoro-3-[(4-methoxybenzoyl)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=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)F

DOS

IR

Vibrations