Geometry & MOs

Info

ID:

116209

PubChem CID:

50551025

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-249.78

Dipole, Da:

5.78

IP(EA), eV:

 -8.76(-0.92)

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-methyl-6-[(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=C(C=CC=C3C(=O)NC4=C(C=C(C=C4)C)F)C)Cl

DOS

IR

Vibrations