Geometry & MOs

Info

ID:

114408

PubChem CID:

50481839

Reduced:

F2O5N6C41H48 (1)

Stoich.:

A2B5C6D41E48 (1)

Weight, g/mol:

770.303968

ΔHf, kcal/mol:

-284.37

Dipole, Da:

10.37

IP(EA), eV:

 -8.82(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=C(C=C5)F)F)NC(=O)C6CCCCC6

DOS

IR

Vibrations