Geometry & MOs

Info

ID:

101397

PubChem CID:

50064664

Reduced:

F3O5N6C38H43 (1)

Stoich.:

A3B5C6D38E43 (1)

Weight, g/mol:

772.299631

ΔHf, kcal/mol:

-321.83

Dipole, Da:

13.19

IP(EA), eV:

 -8.87(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C)F

DOS

IR

Vibrations