Geometry & MOs

Info

ID:

97424

PubChem CID:

50031571

Reduced:

F3N6O6C41H41 (1)

Stoich.:

A3B6C6D41E41 (1)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-305.2

Dipole, Da:

6.94

IP(EA), eV:

 -8.66(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-fluoro-5-[(4-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC=C(C=C6)OC)F

DOS

IR

Vibrations