Geometry & MOs

Info

ID:

119704

PubChem CID:

50697074

Reduced:

BrClN6O6C35H44 (1)

Stoich.:

ABC6D6E35F44 (1)

Weight, g/mol:

758.21942

ΔHf, kcal/mol:

-247.63

Dipole, Da:

5.0

IP(EA), eV:

 -9.07(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propylcarbamoyl)phenyl]-1-[1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl)Br

DOS

IR

Vibrations