Geometry & MOs

Info

ID:

104067

PubChem CID:

50087158

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-238.5

Dipole, Da:

9.4

IP(EA), eV:

 -8.48(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)C)F)C

DOS

IR

Vibrations