Geometry & MOs

Info

ID:

118344

PubChem CID:

50639162

Reduced:

BrClFO4N5C26H30 (1)

Stoich.:

ABCD4E5F26G30 (1)

Weight, g/mol:

545.22051

ΔHf, kcal/mol:

-176.76

Dipole, Da:

4.95

IP(EA), eV:

 -8.9(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N(C)C)Cl)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations