Geometry & MOs

Info

ID:

116265

PubChem CID:

50553606

Reduced:

ClFO5N6C38H44 (1)

Stoich.:

ABC5D6E38F44 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-228.93

Dipole, Da:

4.77

IP(EA), eV:

 -8.9(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[2-[(3-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations