Geometry & MOs

Info

ID:

99857

PubChem CID:

50055612

Reduced:

ClFO5N6C40H40 (1)

Stoich.:

ABC5D6E40F40 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-188.94

Dipole, Da:

12.92

IP(EA), eV:

 -8.75(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(2-methylbutanoylamino)phenyl]-1-[1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations