Geometry & MOs

Info

ID:

118901

PubChem CID:

50663375

Reduced:

ClO4N5C29H36 (1)

Stoich.:

AB4C5D29E36 (1)

Weight, g/mol:

666.293261

ΔHf, kcal/mol:

-162.68

Dipole, Da:

4.82

IP(EA), eV:

 -8.78(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-methoxyphenyl)-1-[1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations