Geometry & MOs

Info

ID:

113905

PubChem CID:

50463543

Reduced:

F2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

786.310803

ΔHf, kcal/mol:

-240.83

Dipole, Da:

3.73

IP(EA), eV:

 -8.74(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations