Geometry & MOs

Info

ID:

99889

PubChem CID:

50056009

Reduced:

BrF3O4N5C31H31 (1)

Stoich.:

AB3C4D5E31F31 (1)

Weight, g/mol:

595.240639

ΔHf, kcal/mol:

-249.92

Dipole, Da:

11.85

IP(EA), eV:

 -9.09(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-(4-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations