Geometry & MOs

Info

ID:

119913

PubChem CID:

50706823

Reduced:

ClO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

597.271797

ΔHf, kcal/mol:

-182.29

Dipole, Da:

6.33

IP(EA), eV:

 -8.83(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)C(=O)N5CCCCC5

DOS

IR

Vibrations