Geometry & MOs

Info

ID:

98755

PubChem CID:

50046186

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-235.61

Dipole, Da:

6.95

IP(EA), eV:

 -8.72(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations