Geometry & MOs

Info

ID:

110120

PubChem CID:

50311289

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-247.91

Dipole, Da:

6.95

IP(EA), eV:

 -8.67(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-carbamoyl-2-methylanilino)-2-oxoethyl]-1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=C(C=C5)C)F)C)F

DOS

IR

Vibrations