Geometry & MOs

Info

ID:

94909

PubChem CID:

50004869

Reduced:

ClO5N6C35H49 (1)

Stoich.:

AB5C6D35E49 (1)

Weight, g/mol:

610.267046

ΔHf, kcal/mol:

-241.87

Dipole, Da:

12.74

IP(EA), eV:

 -8.7(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC(C)CC

DOS

IR

Vibrations