Geometry & MOs

Info

ID:

109017

PubChem CID:

50268891

Reduced:

ClFO5N6C39H40 (1)

Stoich.:

ABC5D6E39F40 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-192.12

Dipole, Da:

8.34

IP(EA), eV:

 -8.59(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations