Geometry & MOs

Info

ID:

115092

PubChem CID:

50509002

Reduced:

ClO4N5C28H34 (1)

Stoich.:

AB4C5D28E34 (1)

Weight, g/mol:

585.235412

ΔHf, kcal/mol:

-162.73

Dipole, Da:

4.45

IP(EA), eV:

 -8.68(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2,5-dimethoxyphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations