Geometry & MOs

Info

ID:

98435

PubChem CID:

50044070

Reduced:

F2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

608.17983

ΔHf, kcal/mol:

-266.08

Dipole, Da:

7.12

IP(EA), eV:

 -8.93(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-bromo-4,5-dimethylphenyl)-1-[2-[5-[(4-fluoro-2-methylphenyl)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)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)N5CCCCC5

DOS

IR

Vibrations