Geometry & MOs

Info

ID:

115597

PubChem CID:

50528109

Reduced:

FN6O6C39H45 (1)

Stoich.:

AB6C6D39E45 (1)

Weight, g/mol:

531.20486

ΔHf, kcal/mol:

-243.5

Dipole, Da:

5.9

IP(EA), eV:

 -8.81(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)N5CCOCC5)C(=O)NC6=CC=CC=C6F

DOS

IR

Vibrations