Geometry & MOs

Info

ID:

109157

PubChem CID:

50274909

Reduced:

ClF2O5N6C42H45 (1)

Stoich.:

AB2C5D6E42F45 (1)

Weight, g/mol:

623.231075

ΔHf, kcal/mol:

-248.54

Dipole, Da:

8.21

IP(EA), eV:

 -8.29(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-[1-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5Cl)C

DOS

IR

Vibrations