Geometry & MOs

Info

ID:

114046

PubChem CID:

50469221

Reduced:

ClFN5O5C32H35 (1)

Stoich.:

ABC5D5E32F35 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-213.05

Dipole, Da:

11.98

IP(EA), eV:

 -8.78(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations