Geometry & MOs

Info

ID:

102547

PubChem CID:

50068090

Reduced:

ClFO5N6C36H42 (1)

Stoich.:

ABC5D6E36F42 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-238.32

Dipole, Da:

9.51

IP(EA), eV:

 -8.75(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations