Geometry & MOs

Info

ID:

96531

PubChem CID:

50021949

Reduced:

ClFO5N6C38H46 (1)

Stoich.:

ABC5D6E38F46 (1)

Weight, g/mol:

655.212838

ΔHf, kcal/mol:

-240.76

Dipole, Da:

9.39

IP(EA), eV:

 -8.88(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3,4-dichloroanilino)-3-oxopropyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations