Geometry & MOs

Info

ID:

91783

PubChem CID:

49979062

Reduced:

ClF3O4N5C31H37 (1)

Stoich.:

AB3C4D5E31F37 (1)

Weight, g/mol:

686.322811

ΔHf, kcal/mol:

-331.98

Dipole, Da:

11.15

IP(EA), eV:

 -8.76(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[4-[(4-fluorobenzoyl)amino]-3-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations