Geometry & MOs

Info

ID:

109430

PubChem CID:

50283990

Reduced:

FO5N6C39H49 (1)

Stoich.:

AB5C6D39E49 (1)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-236.01

Dipole, Da:

4.71

IP(EA), eV:

 -9.03(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=C(C=C4)C)F)C)C

DOS

IR

Vibrations