Geometry & MOs

Info

ID:

120510

PubChem CID:

50730772

Reduced:

ClFN6O6C39H40 (1)

Stoich.:

ABC6D6E39F40 (1)

Weight, g/mol:

742.268189

ΔHf, kcal/mol:

-226.0

Dipole, Da:

8.31

IP(EA), eV:

 -8.6(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[1-[3-[(3-fluorobenzoyl)amino]-4-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations