Geometry & MOs

Info

ID:

118260

PubChem CID:

50636134

Reduced:

ClO5N6C38H53 (1)

Stoich.:

AB5C6D38E53 (1)

Weight, g/mol:

631.232825

ΔHf, kcal/mol:

-242.07

Dipole, Da:

8.65

IP(EA), eV:

 -9.07(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC(C4)C)Cl

DOS

IR

Vibrations