Geometry & MOs

Info

ID:

108393

PubChem CID:

50243282

Reduced:

ClFO5N6C40H48 (1)

Stoich.:

ABC5D6E40F48 (1)

Weight, g/mol:

750.334125

ΔHf, kcal/mol:

-244.0

Dipole, Da:

17.09

IP(EA), eV:

 -8.62(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-4-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations