Geometry & MOs

Info

ID:

118697

PubChem CID:

50654648

Reduced:

ClN5O5C29H38 (1)

Stoich.:

AB5C5D29E38 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-204.56

Dipole, Da:

4.17

IP(EA), eV:

 -8.42(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2-ethylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C)OC

DOS

IR

Vibrations