Geometry & MOs

Info

ID:

100595

PubChem CID:

50063072

Reduced:

ClFN6O6C35H38 (1)

Stoich.:

ABC6D6E35F38 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-249.5

Dipole, Da:

11.69

IP(EA), eV:

 -8.8(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-fluoro-5-[(4-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations