Geometry & MOs

Info

ID:

100522

PubChem CID:

50062168

Reduced:

F4O4N5C34H35 (1)

Stoich.:

A4B4C5D34E35 (1)

Weight, g/mol:

655.16057

ΔHf, kcal/mol:

-302.14

Dipole, Da:

8.91

IP(EA), eV:

 -8.98(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-bromoanilino)-3-oxopropyl]-1-[2-[5-[(2,6-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)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations