Geometry & MOs

Info

ID:

107863

PubChem CID:

50221747

Reduced:

FO5N6C39H49 (1)

Stoich.:

AB5C6D39E49 (1)

Weight, g/mol:

686.415569

ΔHf, kcal/mol:

-231.93

Dipole, Da:

10.36

IP(EA), eV:

 -8.75(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-[1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4)F)C

DOS

IR

Vibrations