Geometry & MOs

Info

ID:

118491

PubChem CID:

50644411

Reduced:

Cl3O4N5C29H36 (1)

Stoich.:

A3B4C5D29E36 (1)

Weight, g/mol:

599.287447

ΔHf, kcal/mol:

-185.57

Dipole, Da:

8.14

IP(EA), eV:

 -9.1(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-methoxy-5-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations