Geometry & MOs

Info

ID:

117007

PubChem CID:

50584649

Reduced:

ClN5O5C32H40 (1)

Stoich.:

AB5C5D32E40 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-211.28

Dipole, Da:

6.58

IP(EA), eV:

 -8.94(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-fluoro-5-[(3-fluorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations