Geometry & MOs

Info

ID:

109717

PubChem CID:

50295009

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-233.97

Dipole, Da:

9.84

IP(EA), eV:

 -8.6(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4C(=O)N5CCCCC5)C)F

DOS

IR

Vibrations