Geometry & MOs

Info

ID:

118306

PubChem CID:

50637863

Reduced:

BrClO5N6C34H44 (1)

Stoich.:

ABC5D6E34F44 (1)

Weight, g/mol:

702.19321

ΔHf, kcal/mol:

-213.53

Dipole, Da:

3.59

IP(EA), eV:

 -9.11(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations