Geometry & MOs

Info

ID:

96947

PubChem CID:

50026278

Reduced:

FN6O6C43H53 (1)

Stoich.:

AB6C6D43E53 (1)

Weight, g/mol:

776.369761

ΔHf, kcal/mol:

-282.49

Dipole, Da:

7.27

IP(EA), eV:

 -8.17(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(4-methoxybenzoyl)amino]-4-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C6CCCCC6

DOS

IR

Vibrations