Geometry & MOs

Info

ID:

114601

PubChem CID:

50489599

Reduced:

ClFO5N6C40H42 (1)

Stoich.:

ABC5D6E40F42 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-196.71

Dipole, Da:

5.69

IP(EA), eV:

 -8.82(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-carbamoyl-2-chloroanilino)-3-oxopropyl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=C(C=C5)F)Cl

DOS

IR

Vibrations