Geometry & MOs

Info

ID:

113649

PubChem CID:

50453692

Reduced:

F3O5N6C41H41 (1)

Stoich.:

A3B5C6D41E41 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-273.21

Dipole, Da:

5.54

IP(EA), eV:

 -8.3(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-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=C(C=C4)NC(=O)C5=CC=C(C=C5)F)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations