Geometry & MOs

Info

ID:

94656

PubChem CID:

50003030

Reduced:

ClO3N4C27H35 (1)

Stoich.:

AB3C4D27E35 (1)

Weight, g/mol:

686.415569

ΔHf, kcal/mol:

-129.32

Dipole, Da:

7.62

IP(EA), eV:

 -8.92(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations