Geometry & MOs

Info

ID:

98505

PubChem CID:

50044714

Reduced:

ClFO5N6C39H48 (1)

Stoich.:

ABC5D6E39F48 (1)

Weight, g/mol:

641.337733

ΔHf, kcal/mol:

-258.7

Dipole, Da:

9.75

IP(EA), eV:

 -8.68(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations