Geometry & MOs

Info

ID:

119444

PubChem CID:

50685196

Reduced:

ClFN6O6C37H42 (1)

Stoich.:

ABC6D6E37F42 (1)

Weight, g/mol:

684.259374

ΔHf, kcal/mol:

-265.48

Dipole, Da:

3.73

IP(EA), eV:

 -8.88(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations