Geometry & MOs

Info

ID:

113611

PubChem CID:

50452114

Reduced:

F3O5N6H39C40 (1)

Stoich.:

A3B5C6D39E40 (1)

Weight, g/mol:

740.293403

ΔHf, kcal/mol:

-265.56

Dipole, Da:

4.06

IP(EA), eV:

 -8.67(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(3-fluorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations