Geometry & MOs

Info

ID:

118598

PubChem CID:

50648545

Reduced:

BrClO5N6C32H40 (1)

Stoich.:

ABC5D6E32F40 (1)

Weight, g/mol:

716.20886

ΔHf, kcal/mol:

-194.37

Dipole, Da:

5.54

IP(EA), eV:

 -8.92(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propan-2-ylcarbamoyl)phenyl]-1-[1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Br)C(=O)N(C)C

DOS

IR

Vibrations