Geometry & MOs

Info

ID:

115244

PubChem CID:

50514868

Reduced:

FN5O5C37H42 (1)

Stoich.:

AB5C5D37E42 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-217.41

Dipole, Da:

1.6

IP(EA), eV:

 -8.86(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(2-fluorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)C)C)F

DOS

IR

Vibrations