Geometry & MOs

Info

ID:

115860

PubChem CID:

50536763

Reduced:

ClO5N6C38H43 (1)

Stoich.:

AB5C6D38E43 (1)

Weight, g/mol:

716.288924

ΔHf, kcal/mol:

-165.74

Dipole, Da:

9.16

IP(EA), eV:

 -8.7(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCCC2)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations