Geometry & MOs

Info

ID:

118307

PubChem CID:

50637864

Reduced:

BrClO5N6C32H40 (1)

Stoich.:

ABC5D6E32F40 (1)

Weight, g/mol:

644.228074

ΔHf, kcal/mol:

-206.53

Dipole, Da:

8.74

IP(EA), eV:

 -9.03(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)Br)C(=O)NC)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations