Geometry & MOs

Info

ID:

107957

PubChem CID:

50225256

Reduced:

F3O5N6H39C40 (1)

Stoich.:

A3B5C6D39E40 (1)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-268.29

Dipole, Da:

9.11

IP(EA), eV:

 -9.02(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC6=CC(=CC=C6)F

DOS

IR

Vibrations