Geometry & MOs

Info

ID:

116195

PubChem CID:

50550357

Reduced:

ClFO5N6C36H42 (1)

Stoich.:

ABC5D6E36F42 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-233.51

Dipole, Da:

11.15

IP(EA), eV:

 -8.86(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4=C(C=CC(=C4)F)C)Cl

DOS

IR

Vibrations