Geometry & MOs

Info

ID:

106448

PubChem CID:

50163524

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

752.406147

ΔHf, kcal/mol:

-233.46

Dipole, Da:

4.34

IP(EA), eV:

 -8.82(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N

DOS

IR

Vibrations