Geometry & MOs

Info

ID:

108874

PubChem CID:

50262470

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

697.20752

ΔHf, kcal/mol:

-269.19

Dipole, Da:

10.5

IP(EA), eV:

 -8.87(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-bromo-4,5-dimethylanilino)-3-oxopropyl]-1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCC5

DOS

IR

Vibrations