Geometry & MOs

Info

ID:

110355

PubChem CID:

50321641

Reduced:

ClFO5N6C42H50 (1)

Stoich.:

ABC5D6E42F50 (1)

Weight, g/mol:

764.349775

ΔHf, kcal/mol:

-242.22

Dipole, Da:

5.13

IP(EA), eV:

 -8.78(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC(=C(C=C6)C)F)C

DOS

IR

Vibrations