Geometry & MOs

Info

ID:

90151

PubChem CID:

49966810

Reduced:

SO4N5C31H41 (1)

Stoich.:

AB4C5D31E41 (1)

Weight, g/mol:

629.2013

ΔHf, kcal/mol:

-157.29

Dipole, Da:

6.5

IP(EA), eV:

 -8.38(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations