Geometry & MOs

Info

ID:

97701

PubChem CID:

50033990

Reduced:

F2N6O6C43H46 (1)

Stoich.:

A2B6C6D43E46 (1)

Weight, g/mol:

768.24464

ΔHf, kcal/mol:

-275.97

Dipole, Da:

17.09

IP(EA), eV:

 -8.54(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(propan-2-ylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC=CC=C6OC

DOS

IR

Vibrations