Geometry & MOs

Info

ID:

112108

PubChem CID:

50395036

Reduced:

ClO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

686.415569

ΔHf, kcal/mol:

-213.28

Dipole, Da:

7.27

IP(EA), eV:

 -8.79(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-(cyclohexylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=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=C4C)Cl)C

DOS

IR

Vibrations