Geometry & MOs

Info

ID:

113890

PubChem CID:

50462915

Reduced:

F3O5N6C37H43 (1)

Stoich.:

A3B5C6D37E43 (1)

Weight, g/mol:

768.324703

ΔHf, kcal/mol:

-322.11

Dipole, Da:

5.95

IP(EA), eV:

 -8.79(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations