Geometry & MOs

Info

ID:

119217

PubChem CID:

50674186

Reduced:

ClFO5N6C37H42 (1)

Stoich.:

ABC5D6E37F42 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-227.4

Dipole, Da:

7.84

IP(EA), eV:

 -8.61(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-[(3-fluorobenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations