Geometry & MOs

Info

ID:

114252

PubChem CID:

50475438

Reduced:

FO5N6C41H45 (1)

Stoich.:

AB5C6D41E45 (1)

Weight, g/mol:

724.374847

ΔHf, kcal/mol:

-210.02

Dipole, Da:

5.66

IP(EA), eV:

 -8.74(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5C)C)F

DOS

IR

Vibrations