Geometry & MOs

Info

ID:

119703

PubChem CID:

50697073

Reduced:

BrClN6O6C34H42 (1)

Stoich.:

ABC6D6E34F42 (1)

Weight, g/mol:

758.21942

ΔHf, kcal/mol:

-229.3

Dipole, Da:

5.46

IP(EA), eV:

 -8.96(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propan-2-ylcarbamoyl)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(=O)NC1=C(C=CC(=C1)C(=O)N2CCOCC2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C(=O)N(C)C

DOS

IR

Vibrations