Geometry & MOs

Info

ID:

99543

PubChem CID:

50051196

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-226.23

Dipole, Da:

6.72

IP(EA), eV:

 -8.98(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C(=O)NC)Cl

DOS

IR

Vibrations