Geometry & MOs

Info

ID:

102527

PubChem CID:

50068019

Reduced:

ClFO5N6C40H48 (1)

Stoich.:

ABC5D6E40F48 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-242.19

Dipole, Da:

9.1

IP(EA), eV:

 -8.77(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)C)F)C

DOS

IR

Vibrations